data_2eqk_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 2eqk _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 ' 8' ' ' MET . . . . . . . . . . . . . 2.8 mtp . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.751 0.31 . . . . 0.0 110.917 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 4.9 mp -49.85 -42.95 19.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.13 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -56.2 -62.89 1.4 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.118 179.78 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -55.41 -56.17 23.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.088 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . 0.524 ' CE2' HD12 ' A' ' 77' ' ' LEU . 40.9 m-85 -52.13 -64.0 0.96 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.974 -179.896 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -43.6 -59.53 2.15 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.879 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 17.4 m-20 -53.2 -43.51 67.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.881 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.403 ' C ' ' HD2' ' A' ' 16' ' ' LYS . 1.9 m -67.7 169.31 9.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.843 -179.834 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.403 ' HD2' ' C ' ' A' ' 15' ' ' SER . 0.1 OUTLIER -127.31 149.51 50.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.884 179.937 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . 0.564 ' CH2' ' HA ' ' A' ' 19' ' ' PRO . 73.1 t90 -42.31 151.33 0.11 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.906 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -139.93 143.89 36.24 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.642 0.734 . . . . 0.0 110.921 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.564 ' HA ' ' CH2' ' A' ' 17' ' ' TRP . 54.0 Cg_endo -69.72 101.27 0.89 Allowed 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.677 2.251 . . . . 0.0 112.368 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 2.6 p -138.68 140.46 39.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.087 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 20.9 ttmt -81.85 120.03 24.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.908 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . 0.41 ' CZ3' ' HB3' ' A' ' 28' ' ' CYS . 87.9 m95 -85.32 124.76 32.31 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.882 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -107.45 161.86 14.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.938 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 5.6 t-20 -66.58 147.85 52.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.86 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 35.0 t70 60.71 52.4 4.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.868 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 30.8 mtp -126.23 161.44 27.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.883 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 5.6 m170 -110.65 143.5 41.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.849 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.41 ' HB3' ' CZ3' ' A' ' 22' ' ' TRP . 27.9 p -163.19 175.69 10.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.872 -179.9 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -122.07 126.19 47.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.092 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 1.2 p -99.36 146.43 8.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.149 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.557 ' HB2' ' CH2' ' A' ' 38' ' ' TRP . 60.2 tttt -103.29 117.95 35.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.877 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.445 HG23 ' N ' ' A' ' 33' ' ' GLN . 23.9 mt -77.25 151.54 5.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.094 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.445 ' N ' HG23 ' A' ' 32' ' ' ILE . 49.9 mt-30 -89.85 -71.16 0.63 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.897 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -49.55 -28.72 5.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.896 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 53.0 mmtt -111.64 170.16 8.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.973 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -121.14 33.34 5.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.911 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 10.7 tm0? -116.69 134.86 54.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.912 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . 0.557 ' CH2' ' HB2' ' A' ' 31' ' ' LYS . 59.0 m95 -88.04 115.13 25.29 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.945 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 85.6 mtt180 -103.51 151.27 23.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.859 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.402 ' CZ ' HD11 ' A' ' 73' ' ' LEU . 46.6 mtt180 -92.49 140.2 29.81 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.883 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -134.28 162.8 24.61 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.486 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.402 ' O ' ' N ' ' A' ' 44' ' ' ILE . 31.4 tt0 -115.89 117.96 31.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.819 0.342 . . . . 0.0 110.914 -179.865 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 51.2 mm -47.52 94.11 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.162 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.402 ' N ' ' O ' ' A' ' 42' ' ' GLN . 38.6 mt -72.71 -65.77 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.099 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 19.9 ptt180 -159.37 128.08 5.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.837 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 18.1 mtp -68.7 120.55 14.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.889 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 40.5 t -84.63 -61.11 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.149 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 5.3 p -133.89 -177.75 4.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.129 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -69.88 -2.86 13.52 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.863 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 13.5 p -129.92 -31.04 1.97 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.198 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 84.9 mt -96.85 151.79 19.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.902 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.448 HG22 ' CG1' ' A' ' 67' ' ' VAL . 20.3 t -153.74 130.86 2.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.153 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 13.3 tt0 -84.22 123.85 30.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.903 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 2.7 m -128.99 163.15 34.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.117 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 6.4 tp -120.5 126.5 50.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.925 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.434 ' O ' ' N ' ' A' ' 58' ' ' ASP . 35.5 mt -81.94 48.88 1.28 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.893 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.432 ' C ' ' O ' ' A' ' 56' ' ' LEU . 37.2 p90 -36.04 -33.91 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.94 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.434 ' N ' ' O ' ' A' ' 56' ' ' LEU . 10.1 t0 -52.82 -49.26 66.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.871 179.868 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 34.1 m -100.2 -44.41 11.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.09 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 113.97 46.82 0.64 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.488 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 38.9 t -134.41 126.11 48.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.775 0.322 . . . . 0.0 111.167 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -90.59 119.99 31.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.941 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -152.11 176.18 11.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.913 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 3.1 p -132.84 124.94 51.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.118 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 7.2 m -114.02 176.66 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.122 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . 0.412 ' ND2' ' OD1' ' A' ' 68' ' ' ASP . 21.5 t30 -91.43 141.05 29.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.858 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.448 ' CG1' HG22 ' A' ' 52' ' ' VAL . 27.8 m -57.01 -19.35 9.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.125 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.412 ' OD1' ' ND2' ' A' ' 66' ' ' ASN . 3.1 m-20 -66.55 -27.84 68.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.885 179.882 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 4.9 m -98.19 -17.03 19.23 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.897 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 25.8 mt -69.94 151.34 45.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.914 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 22.0 mmm180 -145.78 145.1 30.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.879 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 17.2 mmmt -69.01 135.5 50.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.907 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.402 HD11 ' CZ ' ' A' ' 40' ' ' ARG . 8.0 tp -73.46 99.08 2.9 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.875 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 37.5 mm-40 -65.09 136.47 56.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.914 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -54.69 -52.05 63.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.866 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -44.5 -52.52 7.86 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.89 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.524 HD12 ' CE2' ' A' ' 12' ' ' TYR . 74.5 mt . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.917 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 2.7 mtp . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.785 0.326 . . . . 0.0 110.919 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 4.9 mp -46.6 -45.18 6.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.169 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -52.39 -61.03 2.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.143 179.77 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -59.82 -63.45 1.3 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.076 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 32.4 m-85 -41.99 -48.92 4.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.985 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -61.0 -47.18 87.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.908 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -57.43 -40.84 79.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.922 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 6.4 t -66.09 174.24 2.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.877 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.451 ' N ' ' HD2' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -136.96 152.06 49.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.909 179.925 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . 0.502 ' CD1' ' HA ' ' A' ' 68' ' ' ASP . 67.9 t90 -38.4 150.16 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.921 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -147.73 143.89 18.47 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.652 0.739 . . . . 0.0 110.884 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.406 ' HA ' ' CH2' ' A' ' 17' ' ' TRP . 54.1 Cg_endo -69.74 99.56 0.75 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.701 2.268 . . . . 0.0 112.327 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 6.9 p -136.11 138.44 47.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.145 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 21.2 ttmm -81.17 110.94 17.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.908 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . 0.524 ' CZ3' ' HB3' ' A' ' 28' ' ' CYS . 74.0 m95 -77.62 113.42 15.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.879 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 80.4 mt-10 -99.77 161.19 13.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.858 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 -65.49 148.87 50.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.898 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 6.4 t70 58.12 50.26 10.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.903 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 23.8 mmm -117.91 171.84 7.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.892 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 7.1 m170 -116.17 135.94 53.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.83 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.524 ' HB3' ' CZ3' ' A' ' 22' ' ' TRP . 25.9 p -158.72 162.83 37.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.865 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -113.39 115.15 27.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.101 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.461 ' CG2' HG22 ' A' ' 65' ' ' VAL . 8.7 p -90.17 155.31 3.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.125 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.539 ' HB2' ' CH2' ' A' ' 38' ' ' TRP . 7.7 ttpm? -113.87 123.69 50.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.863 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.436 HG21 ' N ' ' A' ' 33' ' ' GLN . 69.2 mt -72.25 140.33 18.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.142 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.436 ' N ' HG21 ' A' ' 32' ' ' ILE . 4.4 mm100 -79.81 -50.45 10.51 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.877 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -61.11 -51.05 70.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.873 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 4.1 mptp? -95.05 179.11 5.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.901 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 20.5 t-20 -118.69 39.35 3.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.889 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.43 ' CG ' HD13 ' A' ' 32' ' ' ILE . 10.2 pt20 -113.89 -179.01 3.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.888 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . 0.539 ' CH2' ' HB2' ' A' ' 31' ' ' LYS . 71.3 m95 -130.87 115.17 16.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.947 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 21.2 mmt180 -104.24 141.61 35.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.84 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 70.8 mtt180 -76.67 146.83 37.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.896 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -145.0 152.6 24.63 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.474 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.495 ' O ' ' N ' ' A' ' 44' ' ' ILE . 50.3 tt0 -113.81 117.31 31.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.811 0.338 . . . . 0.0 110.938 -179.902 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 40.5 mm -44.63 90.51 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.101 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.495 ' N ' ' O ' ' A' ' 42' ' ' GLN . 41.3 mt -71.08 -65.99 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.102 179.821 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.406 ' O ' ' CG ' ' A' ' 45' ' ' ARG . 23.7 ptt180 -156.84 122.42 4.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.855 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 29.5 mtp -67.46 112.63 4.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.864 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 36.0 t -75.46 -66.22 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.161 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 47.5 p -128.12 -176.21 3.73 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.113 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -71.77 -8.44 54.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.862 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 45.0 p -124.46 -20.82 5.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.123 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 85.9 mt -109.69 150.91 27.59 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.911 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.409 ' C ' HG21 ' A' ' 64' ' ' VAL . 49.0 t -155.49 132.06 2.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.133 179.834 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 9.7 tt0 -84.74 125.28 32.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.925 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 3.6 m -126.85 156.36 38.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.084 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.44 ' HB2' ' CD1' ' A' ' 44' ' ' ILE . 10.0 tp -112.59 120.36 41.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.891 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.456 ' O ' ' C ' ' A' ' 57' ' ' TYR . 40.4 mt -77.11 48.75 0.63 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.907 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.456 ' C ' ' O ' ' A' ' 56' ' ' LEU . 44.3 p90 -34.12 -37.06 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.92 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.44 ' OD1' ' C ' ' A' ' 56' ' ' LEU . 11.3 p-10 -48.99 -55.72 11.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.9 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 34.5 m -95.15 -43.4 12.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.112 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 111.99 52.58 0.53 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.536 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 41.2 t -139.43 125.63 23.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.797 0.332 . . . . 0.0 111.098 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -88.42 120.69 30.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.887 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -151.55 175.6 12.16 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.89 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.409 HG21 ' C ' ' A' ' 52' ' ' VAL . 3.6 p -133.17 130.02 57.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.089 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.461 HG22 ' CG2' ' A' ' 30' ' ' VAL . 6.9 m -121.76 174.67 5.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.074 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . 0.426 ' ND2' ' OD2' ' A' ' 68' ' ' ASP . 3.8 t30 -86.98 137.05 32.68 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.871 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 16.4 m -53.49 -37.15 29.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.098 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.502 ' HA ' ' CD1' ' A' ' 17' ' ' TRP . 0.3 OUTLIER -54.8 -17.96 4.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.873 179.918 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 6.5 m -103.26 -23.25 13.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.869 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 48.9 mt -65.1 162.98 15.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.898 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 23.9 mtp85 -158.44 143.83 16.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.822 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 42.6 mtpt -66.02 126.51 28.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.905 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 3.4 tp -65.3 106.01 1.26 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.861 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -58.16 145.31 37.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.843 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 20.5 pt-20 -69.77 -43.39 72.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.922 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 39.1 m-20 -57.55 -53.1 62.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.886 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 23.7 mt . . . . . 0 C--N 1.328 -0.352 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.95 179.935 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.6 mtp . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.768 0.318 . . . . 0.0 110.914 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 4.3 mp -46.72 -41.53 5.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.167 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -54.88 -63.7 1.07 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.089 179.797 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -55.3 -54.86 38.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.109 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 24.7 m-85 -51.37 -44.62 62.16 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.868 -179.815 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -64.88 -55.57 18.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.837 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -53.22 -58.15 8.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.919 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 6.8 t -40.92 157.89 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.878 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 14.9 ptpt -112.29 169.79 8.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.876 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 46.2 t90 -65.77 127.55 32.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.918 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -130.66 141.48 42.11 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.612 0.72 . . . . 0.0 110.93 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.7 101.2 0.87 Allowed 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.711 2.274 . . . . 0.0 112.353 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 3.5 p -131.48 132.05 62.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.122 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -80.11 119.2 22.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.94 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . 0.512 ' CZ3' ' HB3' ' A' ' 28' ' ' CYS . 63.1 m95 -83.79 101.08 11.35 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.887 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -82.79 160.68 22.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.903 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 12.6 m120 -66.65 153.03 44.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.918 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 55.5 m-20 59.22 48.97 9.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.89 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 26.6 mtp -122.05 168.17 12.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.873 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 65.3 m170 -123.84 138.26 54.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.882 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.512 ' HB3' ' CZ3' ' A' ' 22' ' ' TRP . 24.4 p -156.1 166.12 34.39 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.889 -179.911 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -105.6 113.54 27.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.082 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.446 HG21 ' N ' ' A' ' 31' ' ' LYS . 7.4 p -95.5 155.61 3.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.166 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.516 ' HB2' ' CH2' ' A' ' 38' ' ' TRP . 18.4 ttpt -113.68 134.07 54.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.928 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 20.3 mt -85.22 144.5 9.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.151 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -80.03 -61.36 2.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.883 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -58.34 -48.96 78.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.867 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 11.2 mmtp -90.28 173.69 8.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.856 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 7.6 m120 -123.19 40.65 3.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.924 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 39.7 mt-30 -120.14 126.98 52.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.912 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . 0.516 ' CH2' ' HB2' ' A' ' 31' ' ' LYS . 42.0 m95 -82.52 108.62 16.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.948 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -103.43 179.31 4.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.828 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -113.83 160.33 18.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.896 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -150.7 158.73 27.81 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.52 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.441 ' O ' ' N ' ' A' ' 44' ' ' ILE . 46.3 tt0 -108.25 121.35 44.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.791 0.329 . . . . 0.0 110.925 -179.9 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.463 HD13 ' CE3' ' A' ' 22' ' ' TRP . 49.9 mm -51.24 89.08 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.162 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.468 ' CD1' ' HB2' ' A' ' 55' ' ' LEU . 52.9 mt -68.1 -69.58 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.176 179.864 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 9.4 ptp180 -155.05 124.57 6.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.866 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 30.2 mtp -67.15 115.43 6.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.883 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 38.6 t -78.08 -63.65 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.149 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.2 p -131.05 -178.21 4.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.157 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -68.71 -11.54 60.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.883 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 69.4 p -121.14 -28.36 4.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.151 -179.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 77.1 mt -101.81 150.47 23.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.933 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.4 HG21 ' CG1' ' A' ' 67' ' ' VAL . 25.2 t -152.92 132.42 3.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.151 179.846 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -84.24 122.06 28.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.907 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 2.6 m -127.01 157.2 38.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.142 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.468 ' HB2' ' CD1' ' A' ' 44' ' ' ILE . 10.2 tp -116.07 122.53 45.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.938 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.425 ' O ' ' C ' ' A' ' 57' ' ' TYR . 41.0 mt -78.49 49.39 0.86 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.924 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.425 ' C ' ' O ' ' A' ' 56' ' ' LEU . 40.4 p90 -35.96 -36.46 0.09 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.932 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -49.68 -49.83 45.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.908 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 34.0 m -99.63 -44.98 11.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.095 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 114.04 49.99 0.52 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.466 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 42.1 t -137.31 125.11 31.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.808 0.337 . . . . 0.0 111.102 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -89.35 120.3 30.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.825 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -153.41 175.18 13.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.884 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 3.2 p -132.72 127.07 55.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.126 179.831 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 10.7 m -117.44 170.16 7.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.128 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 31.5 t30 -84.7 131.28 34.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.946 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.4 ' CG1' HG21 ' A' ' 52' ' ' VAL . 25.7 m -46.73 -20.97 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.138 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -61.22 -38.76 87.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.878 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 4.1 m -87.35 -16.58 34.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.901 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.457 ' HB3' ' CZ2' ' A' ' 22' ' ' TRP . 19.4 mt -69.54 139.23 53.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.905 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 12.5 mmp_? -135.71 143.3 45.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.869 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 15.3 mtmm -69.1 124.12 22.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.906 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 7.4 tp -62.45 93.47 0.05 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.913 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -56.68 141.18 44.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.862 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 21.0 tt0 -68.01 -46.56 70.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.897 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -54.04 -36.21 62.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.886 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 96.8 mt . . . . . 0 C--N 1.328 -0.368 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.966 179.911 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 3.0 mtp . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.765 0.317 . . . . 0.0 110.84 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 5.3 mp -42.93 -45.17 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.185 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -53.84 -59.42 4.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.098 179.765 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -56.96 -58.52 7.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.106 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . 0.438 ' HB3' ' CE2' ' A' ' 38' ' ' TRP . 37.8 m-85 -49.79 -62.95 1.27 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.896 -179.815 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -47.08 -43.96 20.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.896 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 28.2 m-20 -68.47 -23.9 64.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.846 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.1 m -79.01 -179.05 6.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.849 -179.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.411 ' HA ' ' NZ ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -141.22 159.51 42.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.925 179.955 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . 0.415 ' CH2' ' HA ' ' A' ' 19' ' ' PRO . 44.9 t90 -56.74 138.63 52.66 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.94 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -135.03 144.22 49.33 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.643 0.735 . . . . 0.0 110.863 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.415 ' HA ' ' CH2' ' A' ' 17' ' ' TRP . 54.0 Cg_endo -69.73 90.97 0.51 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.72 2.28 . . . . 0.0 112.36 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 7.4 p -122.16 138.56 51.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.142 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.1 ttmp? -86.53 109.26 18.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.91 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . 0.424 ' CZ3' ' HB3' ' A' ' 28' ' ' CYS . 50.2 m95 -72.32 102.63 3.17 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.886 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.462 ' O ' ' CG2' ' A' ' 43' ' ' ILE . 18.3 mt-10 -86.95 177.66 7.18 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.923 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 29.3 m120 -79.69 147.47 31.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.918 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 38.6 t70 57.98 49.69 11.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.885 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 31.4 mtp -122.72 162.2 22.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.903 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 16.1 m170 -112.13 132.7 54.71 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.885 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.424 ' HB3' ' CZ3' ' A' ' 22' ' ' TRP . 24.4 p -149.41 165.74 31.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.873 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -105.4 132.85 51.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.124 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 1.8 p -107.12 130.09 59.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.106 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 13.8 tttm -101.44 126.86 48.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.864 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.406 HG21 ' N ' ' A' ' 33' ' ' GLN . 13.6 mt -82.59 151.64 4.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.094 179.883 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.406 ' N ' HG21 ' A' ' 32' ' ' ILE . 21.9 pt20 -96.39 -52.76 3.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.917 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -57.56 -17.96 16.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.841 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 21.3 mmmt -127.77 -177.98 4.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.914 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 59.0 t30 -123.99 36.87 4.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.84 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 43.3 mt-30 -117.65 151.37 37.35 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.924 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . 0.438 ' CE2' ' HB3' ' A' ' 12' ' ' TYR . 29.3 m95 -103.82 127.79 51.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.896 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 54.6 mtm180 -115.66 175.49 5.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.859 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 61.3 mtm180 -123.65 153.92 40.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.865 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -152.82 157.67 27.43 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.46 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.408 ' O ' ' N ' ' A' ' 44' ' ' ILE . 57.9 tt0 -108.94 114.42 28.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.78 0.324 . . . . 0.0 110.924 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.462 ' CG2' ' O ' ' A' ' 23' ' ' GLU . 50.1 mm -41.33 96.47 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.16 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.422 ' CD1' ' HB2' ' A' ' 55' ' ' LEU . 53.3 mt -74.83 -67.65 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.119 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 8.0 ptm180 -155.72 125.55 6.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.858 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 16.4 mtp -69.09 115.89 8.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.837 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 45.9 t -80.38 -72.42 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.139 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 78.2 p -119.82 -177.37 3.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.169 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -71.4 -7.06 44.83 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.826 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 46.3 p -125.01 -27.85 3.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.089 -179.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 30.7 mt -101.4 152.22 20.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.895 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.41 HG21 ' CG1' ' A' ' 67' ' ' VAL . 20.2 t -154.08 133.01 3.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.097 179.844 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 9.1 tt0 -84.32 123.71 30.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.888 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 2.0 m -127.88 159.71 38.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.158 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.422 ' HB2' ' CD1' ' A' ' 44' ' ' ILE . 6.8 tp -116.46 120.68 39.55 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.861 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.408 ' O ' ' N ' ' A' ' 58' ' ' ASP . 37.0 mt -75.92 51.0 0.62 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.921 179.856 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 30.8 p90 -38.38 -31.12 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.871 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.408 ' N ' ' O ' ' A' ' 56' ' ' LEU . 8.6 p-10 -55.03 -48.01 73.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.852 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 27.7 m -102.99 -45.1 10.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.181 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 115.65 48.79 0.49 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.493 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 39.2 t -136.58 124.7 34.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.786 0.327 . . . . 0.0 111.152 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 51.3 mt-10 -89.22 120.62 30.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.864 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -151.95 174.4 13.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.922 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 3.7 p -130.62 127.67 62.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.126 179.805 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 4.1 m -119.65 172.21 7.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.108 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 14.3 t30 -86.5 131.7 34.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.93 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.41 ' CG1' HG21 ' A' ' 52' ' ' VAL . 19.6 m -45.92 -25.77 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.154 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -57.86 -39.94 78.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.852 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 3.5 m -82.98 -29.08 29.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.872 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 71.7 mt -61.8 145.23 53.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.871 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 7.8 tpp180 -136.54 148.84 47.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.858 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 12.7 mtpt -68.0 137.22 54.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.926 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 3.0 tp -85.23 97.96 10.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.928 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.453 ' CG ' HD12 ' A' ' 77' ' ' LEU . 8.2 pt-20 -60.62 156.26 17.0 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.925 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 -72.67 -39.18 67.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.896 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -51.16 -36.66 42.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.903 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.453 HD12 ' CG ' ' A' ' 74' ' ' GLU . 92.2 mt . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.875 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.9 mtp . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.796 0.331 . . . . 0.0 110.882 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 4.9 mp -43.68 -56.92 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.14 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.436 ' O ' ' CB ' ' A' ' 14' ' ' ASN . . . -46.07 -51.67 13.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.063 179.821 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -57.35 -60.26 3.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.146 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . 0.474 ' CZ ' HD11 ' A' ' 77' ' ' LEU . 25.2 m-85 -53.22 -66.15 0.44 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.891 -179.88 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -49.22 -33.12 11.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.864 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . 0.436 ' CB ' ' O ' ' A' ' 10' ' ' ALA . 6.5 t-20 -72.17 -36.22 69.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.845 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.4 t -80.59 176.5 9.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 27.1 mtmt -121.04 173.17 7.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.917 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . 0.545 ' CH2' ' HA ' ' A' ' 19' ' ' PRO . 89.4 t90 -60.36 157.41 13.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.854 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.419 ' CD ' ' HD2' ' A' ' 19' ' ' PRO . 7.8 tp10 -147.96 137.64 12.29 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.657 0.742 . . . . 0.0 110.923 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.545 ' HA ' ' CH2' ' A' ' 17' ' ' TRP . 53.9 Cg_endo -69.76 92.38 0.51 Allowed 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.683 2.255 . . . . 0.0 112.328 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 2.5 p -129.76 126.49 62.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.135 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 9.9 tptp -73.25 112.79 9.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.871 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 58.0 m95 -75.43 117.71 17.51 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.906 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 66.5 mt-10 -108.04 151.42 25.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.869 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -56.64 161.22 2.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.907 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 26.6 t0 53.71 49.78 18.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.885 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 33.9 mtp -127.51 165.41 19.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.886 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 7.7 m170 -120.27 132.9 55.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.862 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 6.1 p -151.35 168.3 25.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.895 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -109.14 116.84 32.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.143 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.448 HG21 ' CG1' ' A' ' 65' ' ' VAL . 4.4 p -95.28 148.75 4.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.141 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.425 ' HB2' ' CH2' ' A' ' 38' ' ' TRP . 31.8 ttpt -106.33 130.1 54.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.872 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 41.0 mt -93.92 136.95 23.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.141 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 11.9 mm100 -75.74 -67.28 0.68 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.927 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 36.0 m-20 -45.33 -44.63 11.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.85 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 2.5 mppt? -97.1 173.21 7.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.857 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 14.1 t30 -122.12 31.6 6.13 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.864 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 4.8 pt20 -120.23 135.96 54.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.932 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . 0.425 ' CH2' ' HB2' ' A' ' 31' ' ' LYS . 25.0 m95 -87.52 118.84 27.26 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.903 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 22.4 mtm180 -107.52 165.76 11.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.902 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 56.9 mtm180 -105.52 151.71 23.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.848 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -147.88 160.08 28.22 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.479 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 34.1 tt0 -110.32 123.26 49.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.787 0.327 . . . . 0.0 110.923 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 45.0 mm -52.05 94.1 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.084 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 46.5 mt -72.15 -68.13 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.115 179.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 17.1 ptt180 -155.42 125.83 6.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.85 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 47.3 mtp -68.78 119.83 13.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.885 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 57.6 t -82.72 -65.43 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.132 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 73.2 p -126.89 -179.16 4.69 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.143 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 33.8 m-20 -70.05 -4.2 19.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.877 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 45.3 p -127.99 -28.22 2.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.144 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 42.1 mt -101.99 153.0 20.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.956 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 29.3 t -156.17 131.8 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.15 179.807 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 11.6 tt0 -84.33 124.1 30.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.842 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 2.0 m -125.21 166.49 20.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.126 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 9.3 tp -122.25 119.21 30.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.904 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.447 ' O ' ' N ' ' A' ' 58' ' ' ASP . 27.1 mt -75.86 48.74 0.49 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.91 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.441 ' C ' ' O ' ' A' ' 56' ' ' LEU . 41.6 p90 -35.15 -34.25 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.91 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.447 ' N ' ' O ' ' A' ' 56' ' ' LEU . 16.0 t70 -51.1 -50.07 59.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.86 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 34.1 m -101.17 -41.71 8.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.123 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 111.18 49.65 0.66 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.483 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 38.7 t -136.56 125.49 36.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.778 0.323 . . . . 0.0 111.109 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -87.77 121.27 29.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.902 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -151.58 176.55 11.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.897 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 3.2 p -134.69 123.3 41.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.126 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.448 ' CG1' HG21 ' A' ' 30' ' ' VAL . 5.6 m -115.48 171.24 4.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.109 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 21.4 t30 -82.94 137.04 34.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.884 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 30.1 m -53.4 -36.24 26.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.149 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.478 ' OD1' ' N ' ' A' ' 69' ' ' CYS . 0.6 OUTLIER -54.89 -26.49 36.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.834 179.969 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . 0.478 ' N ' ' OD1' ' A' ' 68' ' ' ASP . 3.1 m -93.68 -21.43 19.36 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.91 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 74.2 mt -70.98 151.84 44.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.936 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 12.4 mmm180 -145.06 145.5 31.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.925 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 7.4 mtpm? -66.42 140.2 58.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.899 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 6.6 tp -83.86 110.35 18.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.898 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -68.19 155.65 39.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.884 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -53.45 -50.56 65.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.898 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 12.4 t-20 -69.97 -45.7 66.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.886 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.474 HD11 ' CZ ' ' A' ' 12' ' ' TYR . 74.6 mt . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.963 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 5.8 mtp . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.722 0.296 . . . . 0.0 110.88 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 4.6 mp -48.95 -41.96 13.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.173 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -50.29 -57.94 6.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.063 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.6 -55.09 30.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.082 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . 0.412 ' CD1' ' HD3' ' A' ' 71' ' ' ARG . 26.0 m-85 -50.55 -32.47 18.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.959 -179.863 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -76.98 -51.92 10.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.861 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -60.33 -57.43 12.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.903 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.7 t -47.18 174.93 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.851 -179.822 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.58 156.78 41.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.91 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . 0.554 ' CD1' ' HA ' ' A' ' 68' ' ' ASP . 73.6 t90 -55.39 135.93 49.87 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.953 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.423 ' CD ' ' HD2' ' A' ' 19' ' ' PRO . 5.1 tp10 -128.58 139.47 35.67 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.642 0.734 . . . . 0.0 110.918 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.423 ' HD2' ' CD ' ' A' ' 18' ' ' GLU . 52.9 Cg_endo -69.83 99.21 0.74 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.651 2.234 . . . . 0.0 112.322 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 1.5 p -129.5 135.56 61.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.147 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 14.5 tppt? -73.98 116.55 14.74 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.897 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . 0.433 ' CZ3' ' HB3' ' A' ' 28' ' ' CYS . 83.4 m95 -83.31 125.1 31.26 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.899 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -113.51 152.98 29.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.891 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 12.0 m120 -62.54 144.76 55.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.938 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 71.07 43.53 0.65 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.846 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 37.9 mtp -123.2 160.26 26.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.871 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 5.1 m170 -105.73 138.06 42.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.855 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.433 ' HB3' ' CZ3' ' A' ' 22' ' ' TRP . 31.4 p -157.67 164.35 37.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.869 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -113.81 116.56 29.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.079 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 2.2 p -92.73 144.78 8.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.143 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.567 ' HB2' ' CH2' ' A' ' 38' ' ' TRP . 24.2 ttpt -102.12 117.45 34.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.933 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 16.4 mt -69.06 139.12 20.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.125 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 10.5 mm-40 -73.39 -75.28 0.15 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.927 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -51.91 -52.44 49.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.885 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -70.39 160.18 32.79 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.899 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 24.7 m-20 -113.38 36.11 3.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.864 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.449 ' CD ' ' N ' ' A' ' 38' ' ' TRP . 0.0 OUTLIER -123.91 -174.95 3.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.942 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . 0.567 ' CH2' ' HB2' ' A' ' 31' ' ' LYS . 40.2 m95 -130.07 119.6 23.34 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.97 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 65.1 mtt180 -109.08 155.76 20.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.908 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 1.1 mpp_? -99.83 146.4 26.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.887 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -142.25 164.87 26.82 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.512 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 39.8 tt0 -116.14 122.22 44.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.845 0.355 . . . . 0.0 110.881 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 38.0 mm -49.53 95.4 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.143 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.431 ' CD1' ' HB2' ' A' ' 55' ' ' LEU . 47.6 mt -74.2 -65.79 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.128 179.868 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.437 ' CG ' ' O ' ' A' ' 45' ' ' ARG . 21.2 ptt180 -157.8 121.57 4.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.899 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 28.4 mtp -65.3 116.98 7.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.905 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 42.0 t -78.44 -62.85 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.176 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 24.3 p -134.47 -176.36 4.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.12 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -73.54 0.19 13.3 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.903 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 76.9 p -128.48 -28.86 2.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.176 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 21.4 mt -107.87 158.13 17.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.937 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.463 HG21 ' CG1' ' A' ' 67' ' ' VAL . 19.9 t -158.37 133.27 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.15 179.842 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -84.29 123.55 30.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.93 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 2.8 m -124.67 163.23 25.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.12 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.431 ' HB2' ' CD1' ' A' ' 44' ' ' ILE . 9.4 tp -119.54 121.51 39.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.865 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.42 ' O ' ' N ' ' A' ' 58' ' ' ASP . 59.1 mt -77.96 51.7 0.99 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.938 179.864 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 44.0 p90 -38.18 -30.57 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.888 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.42 ' N ' ' O ' ' A' ' 56' ' ' LEU . 5.1 m-20 -54.91 -47.65 74.08 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.904 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 35.0 m -104.91 -43.96 8.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.121 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 113.35 51.51 0.5 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.5 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 39.9 t -137.32 126.51 35.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.815 0.34 . . . . 0.0 111.138 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -88.25 121.25 30.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.909 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.423 ' N ' HD21 ' A' ' 63' ' ' LEU . 0.8 OUTLIER -152.62 175.03 13.23 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.912 -179.952 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 2.8 p -132.61 130.36 59.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.156 179.822 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 9.5 m -121.55 170.84 11.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.11 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 3.4 t30 -80.53 136.29 36.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.917 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.463 ' CG1' HG21 ' A' ' 52' ' ' VAL . 6.7 m -54.22 -39.43 42.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.093 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.554 ' HA ' ' CD1' ' A' ' 17' ' ' TRP . 0.7 OUTLIER -52.65 -21.14 3.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.848 179.955 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . 0.491 ' N ' ' OD1' ' A' ' 68' ' ' ASP . 18.8 m -96.81 -31.56 12.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.852 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 64.8 mt -57.78 160.41 4.55 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.904 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.412 ' HD3' ' CD1' ' A' ' 12' ' ' TYR . 8.1 mtp85 -151.9 143.86 23.79 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.837 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 14.1 mmmt -69.11 130.63 43.26 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.856 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 1.8 tp -82.78 118.45 23.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.91 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 44.7 mm-40 -92.19 151.12 20.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.872 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.45 ' HG3' ' N ' ' A' ' 76' ' ' ASN . 12.9 pt-20 -70.06 -48.38 58.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.928 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . 0.45 ' N ' ' HG3' ' A' ' 75' ' ' GLU . 1.2 p-10 -50.87 -36.48 38.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.929 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 35.3 mt . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.911 179.976 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.9 mtp . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.776 0.322 . . . . 0.0 110.858 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 5.1 mp -47.08 -42.3 6.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.112 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.71 -63.56 1.25 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.078 179.826 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -49.95 -54.43 19.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.106 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . 0.432 ' O ' ' C ' ' A' ' 13' ' ' GLU . 49.7 m-85 -57.48 -69.68 0.16 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.891 -179.839 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.432 ' C ' ' O ' ' A' ' 12' ' ' TYR . 21.0 tt0 -35.51 -51.71 0.63 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.903 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 11.9 m-20 -63.22 -46.02 88.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.857 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 22.3 t -62.8 142.97 57.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.833 -179.828 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 6.8 mtmp? -92.4 179.2 5.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.901 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . 0.435 ' CD1' ' HA ' ' A' ' 68' ' ' ASP . 89.9 t90 -71.3 161.05 31.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.905 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.421 ' CD ' ' HD2' ' A' ' 19' ' ' PRO . 25.6 tp10 -150.19 137.28 11.38 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.608 0.718 . . . . 0.0 110.874 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.421 ' HD2' ' CD ' ' A' ' 18' ' ' GLU . 53.3 Cg_endo -69.8 98.99 0.72 Allowed 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.734 2.289 . . . . 0.0 112.325 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.42 HG23 ' N ' ' A' ' 21' ' ' LYS . 2.3 p -134.1 143.19 39.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.167 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.42 ' N ' HG23 ' A' ' 20' ' ' VAL . 13.6 ttpp -85.86 115.74 23.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.922 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 67.5 m95 -80.65 120.68 24.89 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.899 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -101.67 167.53 10.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.873 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 5.2 t-20 -74.51 148.21 41.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.909 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 71.2 m-20 62.26 45.66 6.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.863 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 29.8 mtp -118.75 162.88 17.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.868 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 6.6 m170 -112.25 142.98 44.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.872 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 14.4 p -163.61 172.11 14.79 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.902 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -115.28 120.27 39.11 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.116 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.416 HG23 ' N ' ' A' ' 31' ' ' LYS . 5.6 p -98.83 151.04 4.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.082 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.416 ' N ' HG23 ' A' ' 30' ' ' VAL . 20.7 ttpt -106.55 119.06 38.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.916 179.877 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 31.1 mt -69.93 142.98 15.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.142 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 43.5 mt-30 -76.3 -73.67 0.27 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.882 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 72.1 m-20 -46.66 -49.97 18.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.901 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 12.5 mmmt -87.46 -177.85 6.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.878 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 66.5 m-80 -130.15 31.03 4.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.883 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 8.6 tp60 -111.93 149.91 31.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.937 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . 0.471 ' CH2' ' HG3' ' A' ' 71' ' ' ARG . 65.4 m95 -97.77 121.17 39.36 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.911 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 14.8 mmt-85 -111.03 154.75 23.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.859 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 38.4 mtm180 -90.65 136.24 33.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.866 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -133.55 159.77 23.77 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.526 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.462 ' O ' ' N ' ' A' ' 44' ' ' ILE . 50.9 tt0 -117.16 119.79 36.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.82 0.343 . . . . 0.0 110.911 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 45.0 mm -46.75 91.1 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.175 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.462 ' N ' ' O ' ' A' ' 42' ' ' GLN . 41.1 mt -70.39 -65.34 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.164 179.881 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 6.0 ptm180 -157.58 124.77 5.13 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.849 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 32.1 mtp -68.87 114.49 7.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.846 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 58.4 t -79.56 -68.07 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.094 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 73.8 p -122.11 -179.29 4.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.141 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -71.26 -5.33 31.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.898 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 63.3 p -126.5 -27.02 3.2 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.112 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 43.0 mt -103.38 153.62 20.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.962 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.426 HG11 ' N ' ' A' ' 53' ' ' GLU . 73.6 t -155.97 134.0 2.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.126 179.851 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.426 ' N ' HG11 ' A' ' 52' ' ' VAL . 18.1 tt0 -84.55 125.58 32.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.919 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 2.6 m -126.88 158.76 37.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.154 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.45 ' HB2' ' CD1' ' A' ' 44' ' ' ILE . 8.3 tp -116.1 118.7 33.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.931 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.435 ' O ' ' C ' ' A' ' 57' ' ' TYR . 36.7 mt -76.78 47.66 0.52 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.92 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.503 ' CD1' ' N ' ' A' ' 58' ' ' ASP . 25.7 p90 -35.0 -37.82 0.07 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.959 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.503 ' N ' ' CD1' ' A' ' 57' ' ' TYR . 20.1 t0 -48.43 -50.16 32.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.899 179.863 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 34.4 m -98.88 -44.38 11.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.087 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 113.44 49.95 0.54 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.737 -0.745 . . . . 0.0 112.465 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 42.7 t -138.39 125.89 28.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.786 0.327 . . . . 0.0 111.135 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 -90.42 119.35 30.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.897 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -151.48 175.23 12.5 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.867 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 3.4 p -131.79 129.44 61.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.133 179.812 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.412 ' CG1' HG22 ' A' ' 30' ' ' VAL . 4.3 m -121.39 172.12 8.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.139 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 24.5 t30 -83.22 136.43 34.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.892 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 31.2 m -53.07 -36.69 25.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.156 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.435 ' HA ' ' CD1' ' A' ' 17' ' ' TRP . 0.5 OUTLIER -57.05 -21.37 30.81 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.858 179.922 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 1.8 m -96.14 -23.27 16.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.867 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 80.5 mt -68.45 152.67 45.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.966 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.471 ' HG3' ' CH2' ' A' ' 38' ' ' TRP . 8.4 mmp_? -140.65 143.7 35.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.863 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 16.5 mtpp -69.07 127.56 33.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.882 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 3.8 tp -75.06 100.56 4.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.905 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -57.43 -175.51 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.856 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -95.68 -36.94 11.02 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.903 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 17.1 t-20 -62.93 -48.21 79.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.872 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 15.7 mt . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.921 179.97 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.9 mtp . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.77 0.319 . . . . 0.0 110.848 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 5.3 mp -46.84 -49.57 6.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.156 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -52.86 -51.73 59.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.141 179.76 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.29 -60.11 4.04 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.096 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 21.0 m-85 -48.01 -47.51 33.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.957 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.15 -53.35 59.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.877 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -55.12 -59.52 4.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.898 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.4 t -48.03 153.44 0.66 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.837 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -110.1 150.12 29.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.897 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 91.5 t90 -41.17 150.12 0.09 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.921 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.416 ' CD ' ' HD2' ' A' ' 19' ' ' PRO . 35.4 tp10 -145.16 137.39 13.29 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.64 0.733 . . . . 0.0 110.869 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.416 ' HD2' ' CD ' ' A' ' 18' ' ' GLU . 53.6 Cg_endo -69.76 93.79 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.665 2.243 . . . . 0.0 112.32 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 5.6 p -126.67 134.52 66.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.151 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 30.7 ttmt -79.42 111.27 15.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.889 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . 0.529 ' CZ2' ' HB3' ' A' ' 70' ' ' LEU . 80.4 m95 -74.29 122.77 23.39 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.891 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -106.33 151.8 24.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.91 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 30.2 m120 -61.03 143.24 55.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.822 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 26.7 t0 70.96 48.15 0.4 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.864 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 25.9 mtp -128.14 167.72 16.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.903 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 29.2 m170 -117.88 146.71 43.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.866 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.469 ' HB3' ' CZ3' ' A' ' 22' ' ' TRP . 9.0 p -163.17 163.2 25.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.873 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -107.45 124.57 50.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.086 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.445 HG21 ' N ' ' A' ' 31' ' ' LYS . 6.6 p -111.09 138.99 37.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.111 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.514 ' HB2' ' CH2' ' A' ' 38' ' ' TRP . 23.9 ttpt -88.48 117.54 27.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.89 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 79.2 mt -73.15 136.41 25.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.167 179.823 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 14.8 pt20 -79.71 -45.2 19.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.924 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -59.01 -52.04 67.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.877 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.1 mptp? -98.16 -176.78 3.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.92 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 5.5 m-80 -120.06 36.44 4.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.86 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 16.0 mm100 -117.34 178.91 4.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.963 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . 0.514 ' CH2' ' HB2' ' A' ' 31' ' ' LYS . 52.3 m95 -124.28 110.65 14.87 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.888 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 4.4 mmt85 -107.57 138.33 43.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.869 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.418 ' NH1' ' HB3' ' A' ' 58' ' ' ASP . 4.8 ptt85 -92.99 145.4 24.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.855 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -134.87 172.67 21.89 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.484 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 43.6 tt0 -108.81 122.28 46.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.75 0.31 . . . . 0.0 110.929 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 47.9 mm -50.28 94.49 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.103 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.435 ' CD1' ' HB2' ' A' ' 55' ' ' LEU . 53.3 mt -70.89 -66.47 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.137 179.856 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 3.8 ptm180 -157.24 131.05 8.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.896 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 16.9 mtp -73.54 110.85 8.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.852 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 30.8 t -74.07 -65.9 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.138 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.2 p -128.62 -176.23 3.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.175 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -72.82 -2.09 19.25 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.895 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 17.0 p -128.68 -29.31 2.39 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.127 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 88.2 mt -101.47 153.35 19.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.915 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.445 HG21 ' CG1' ' A' ' 67' ' ' VAL . 20.3 t -154.87 132.09 2.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.127 179.782 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.416 ' O ' ' N ' ' A' ' 44' ' ' ILE . 12.9 tt0 -84.27 123.98 30.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.882 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 2.1 m -126.19 157.48 36.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.171 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.435 ' HB2' ' CD1' ' A' ' 44' ' ' ILE . 11.0 tp -116.01 123.09 47.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.906 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.49 ' O ' ' N ' ' A' ' 58' ' ' ASP . 23.8 mt -81.63 44.41 0.81 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.915 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.436 ' C ' ' O ' ' A' ' 56' ' ' LEU . 42.1 p90 -33.9 -33.82 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.932 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.49 ' N ' ' O ' ' A' ' 56' ' ' LEU . 5.2 p-10 -50.93 -54.85 20.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.869 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 26.8 m -95.65 -37.54 7.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.13 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 108.05 53.33 0.66 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.495 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 42.8 t -141.86 126.24 16.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.773 0.32 . . . . 0.0 111.142 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -91.75 118.82 31.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.885 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -150.47 175.88 11.46 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.921 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 3.5 p -133.17 128.97 56.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.182 179.804 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.427 ' CG1' HG23 ' A' ' 30' ' ' VAL . 5.3 m -118.96 170.96 7.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.09 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 18.6 t30 -85.56 134.05 34.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.904 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.445 ' CG1' HG21 ' A' ' 52' ' ' VAL . 33.8 m -51.22 -19.11 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.153 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -62.48 -31.21 71.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.882 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 45.9 m -95.63 -19.51 19.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.894 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.529 ' HB3' ' CZ2' ' A' ' 22' ' ' TRP . 26.9 mt -61.82 145.09 53.69 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.921 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 2.2 mmp_? -139.9 146.86 39.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.89 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 28.3 mtmm -71.77 112.58 7.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.925 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 2.4 tp -64.03 94.67 0.11 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.952 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -59.79 163.24 4.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.881 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -72.76 -47.37 47.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.829 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 16.1 m-80 -57.22 -56.77 17.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.873 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 55.8 mt . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.922 179.947 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' MET . . . . . 0.42 ' HA ' ' CD2' ' A' ' 77' ' ' LEU . 2.1 mtp . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.758 0.313 . . . . 0.0 110.859 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 5.4 mp -47.46 -41.7 7.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.097 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.95 -59.75 4.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.152 179.814 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -56.42 -59.7 4.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.107 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 29.1 m-85 -50.08 -46.76 53.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.883 -179.795 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -54.98 -61.5 2.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.915 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 39.6 t-20 -56.02 -57.01 13.94 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.871 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.8 m -48.86 139.27 10.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.865 -179.835 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 88.6 mttt -99.66 151.65 20.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.931 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . 0.468 ' CH2' ' HA ' ' A' ' 19' ' ' PRO . 82.9 t90 -44.17 157.02 0.06 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.928 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -149.75 143.92 17.23 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.639 0.733 . . . . 0.0 110.889 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.468 ' HA ' ' CH2' ' A' ' 17' ' ' TRP . 53.8 Cg_endo -69.74 96.73 0.6 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.634 2.223 . . . . 0.0 112.358 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 5.8 p -129.39 135.65 61.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.111 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 12.8 ttmm -86.22 116.73 24.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.922 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . 0.528 ' CH2' ' HB3' ' A' ' 28' ' ' CYS . 93.3 m95 -80.83 138.38 36.22 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.898 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.476 ' O ' ' CG ' ' A' ' 26' ' ' MET . 2.5 pt-20 -125.28 136.08 53.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.879 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.412 ' C ' ' O ' ' A' ' 23' ' ' GLU . 15.4 m120 -37.15 153.02 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.909 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 38.7 m-20 56.26 50.11 13.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.835 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' MET . . . . . 0.476 ' CG ' ' O ' ' A' ' 23' ' ' GLU . 23.9 mmm -121.48 165.24 15.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.842 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 16.8 m170 -117.45 141.48 48.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.876 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.528 ' HB3' ' CH2' ' A' ' 22' ' ' TRP . 7.7 p -164.53 162.28 21.67 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.908 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -101.39 114.07 27.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.091 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.498 ' N ' ' O ' ' A' ' 39' ' ' ARG . 2.3 p -90.41 144.01 10.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.132 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.556 ' HB2' ' CH2' ' A' ' 38' ' ' TRP . 6.3 ttpm? -103.12 135.21 45.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.873 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.471 ' CD1' ' HB3' ' A' ' 35' ' ' LYS . 4.3 mt -88.7 149.23 4.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.144 179.855 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.403 ' CG ' ' H ' ' A' ' 34' ' ' ASP . 15.8 pt20 -87.47 -55.71 3.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.914 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.403 ' H ' ' CG ' ' A' ' 33' ' ' GLN . 0.2 OUTLIER -72.61 -41.86 65.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.863 179.968 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.471 ' HB3' ' CD1' ' A' ' 32' ' ' ILE . 0.0 OUTLIER -78.2 157.84 29.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.858 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . 0.496 ' O ' ' NE2' ' A' ' 37' ' ' GLN . 4.3 m120 -110.66 40.41 2.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.855 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.496 ' NE2' ' O ' ' A' ' 36' ' ' ASN . 5.1 mp0 -134.46 179.42 6.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.902 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . 0.556 ' CH2' ' HB2' ' A' ' 31' ' ' LYS . 43.2 m95 -120.44 117.07 26.74 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.944 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.498 ' O ' ' N ' ' A' ' 30' ' ' VAL . 13.6 mmp_? -104.22 165.82 10.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.884 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 83.1 mtm180 -116.25 144.07 44.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.837 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -136.88 161.28 25.09 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.445 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.463 ' O ' ' N ' ' A' ' 44' ' ' ILE . 34.8 tt0 -107.49 119.35 39.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.795 0.331 . . . . 0.0 110.895 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.427 ' CG1' ' HB2' ' A' ' 26' ' ' MET . 49.4 mm -48.27 89.97 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.129 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.463 ' N ' ' O ' ' A' ' 42' ' ' GLN . 41.5 mt -68.95 -66.89 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.116 179.846 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 9.0 ptm180 -156.08 127.03 6.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.862 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 19.5 mtp -69.94 112.62 6.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.861 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 12.7 t -73.98 -64.33 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.144 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 15.9 p -130.63 -177.02 4.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.144 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 27.8 m-20 -72.91 1.82 8.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.843 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' THR . . . . . 0.4 ' O ' ' OD1' ' A' ' 66' ' ' ASN . 16.8 p -131.06 -31.32 1.7 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.112 -179.884 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 51.6 mt -103.21 154.75 19.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.937 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 54.0 t -153.66 133.96 4.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.192 179.854 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.42 ' O ' ' N ' ' A' ' 44' ' ' ILE . 11.1 tt0 -84.34 123.0 29.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.893 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 2.4 m -126.67 160.74 34.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.14 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.403 ' HB2' ' CD1' ' A' ' 44' ' ' ILE . 8.7 tp -119.65 121.47 39.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.928 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.432 ' O ' ' C ' ' A' ' 57' ' ' TYR . 34.4 mt -77.75 49.3 0.75 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.879 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.432 ' C ' ' O ' ' A' ' 56' ' ' LEU . 50.9 p90 -35.98 -37.35 0.1 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.952 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.498 ' OD1' ' N ' ' A' ' 58' ' ' ASP . 3.1 p-10 -49.92 -49.74 48.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.855 179.888 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 35.4 m -99.41 -47.06 12.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.109 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 116.16 48.16 0.49 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.501 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 38.5 t -135.76 125.04 40.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.788 0.328 . . . . 0.0 111.154 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -89.41 120.9 31.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.916 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.401 ' N ' HD23 ' A' ' 63' ' ' LEU . 0.8 OUTLIER -151.19 175.81 11.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.927 -179.927 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 3.6 p -134.42 125.89 47.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.156 179.814 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 3.9 m -118.43 172.4 5.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.132 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . 0.4 ' OD1' ' O ' ' A' ' 50' ' ' THR . 12.6 t30 -84.91 136.5 33.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.915 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 15.7 m -46.89 -26.88 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.109 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 32.6 t0 -62.35 -37.55 86.09 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.85 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 17.8 m -80.76 -24.92 38.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.904 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 80.0 mt -67.11 149.7 50.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.929 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 66.6 mmt-85 -139.61 137.6 35.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.921 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 31.1 mtpt -63.94 129.24 39.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.921 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 2.3 tp -85.68 92.71 8.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.923 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.403 ' CD ' ' HG ' ' A' ' 77' ' ' LEU . 10.1 pt-20 -63.09 -178.0 0.2 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.855 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -85.26 -54.84 4.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.914 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -45.35 -58.84 3.02 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.884 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.42 ' CD2' ' HA ' ' A' ' 8' ' ' MET . 66.7 mt . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.954 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.8 mtp . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.788 0.328 . . . . 0.0 110.88 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 5.3 mp -43.53 -48.27 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.158 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.82 -63.67 1.1 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.095 179.79 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -45.06 -57.75 3.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.109 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 32.1 m-85 -56.26 -43.22 78.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.893 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -53.11 -62.27 1.76 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.89 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -60.94 -42.42 98.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.874 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 49.4 p -53.1 141.94 21.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.82 -179.841 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 8.5 ptpp? -100.6 159.18 15.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.899 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . 0.411 ' NE1' ' HA ' ' A' ' 68' ' ' ASP . 89.1 t90 -63.15 157.82 21.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.901 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -156.76 140.13 11.16 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.629 0.728 . . . . 0.0 110.849 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 94.48 0.53 Allowed 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.676 2.251 . . . . 0.0 112.37 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 3.1 p -128.85 117.16 43.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.111 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.9 tppp? -68.27 117.54 10.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.916 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 88.2 m95 -80.53 119.2 22.88 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.884 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -94.97 155.91 16.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.83 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 5.8 m120 -60.55 141.97 55.94 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.887 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 10.7 t70 70.08 50.42 0.44 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.846 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 36.8 mtp -128.96 168.98 15.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.91 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 13.8 m170 -117.51 141.04 48.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.822 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 25.7 p -153.46 177.56 10.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.894 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -122.42 120.32 33.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.118 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.449 HG23 ' CG1' ' A' ' 65' ' ' VAL . 5.6 p -94.97 148.58 4.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.155 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.483 ' HB2' ' CH2' ' A' ' 38' ' ' TRP . 44.4 tttt -104.99 112.92 26.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.942 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.427 HG22 ' CB ' ' A' ' 35' ' ' LYS . 36.9 mt -71.41 140.77 17.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.104 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -75.35 -74.4 0.21 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.935 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -53.39 -40.96 65.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.858 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.427 ' CB ' HG22 ' A' ' 32' ' ' ILE . 7.3 tptt -89.95 154.31 19.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.902 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 7.9 t-20 -107.24 31.41 5.4 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.886 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 -117.92 154.71 31.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.89 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . 0.483 ' CH2' ' HB2' ' A' ' 31' ' ' LYS . 48.2 m95 -107.71 115.23 29.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.904 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 31.0 mtm180 -106.01 134.8 48.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.852 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 21.0 ptt180 -81.31 148.89 29.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.9 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -140.21 178.46 19.87 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.477 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 38.0 tt0 -118.6 122.07 41.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.757 0.313 . . . . 0.0 110.972 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 49.0 mm -52.92 92.46 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.142 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.453 ' CD1' ' HB2' ' A' ' 55' ' ' LEU . 53.9 mt -71.25 -70.02 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.142 179.859 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.425 ' O ' ' CG ' ' A' ' 45' ' ' ARG . 20.5 ptt85 -152.9 122.85 6.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.871 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' MET . . . . . 0.42 ' HG2' ' CG2' ' A' ' 52' ' ' VAL . 33.8 mtp -68.27 117.61 10.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.882 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 43.5 t -78.43 -71.08 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.133 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 44.6 p -122.91 -175.84 3.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.099 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -75.08 -0.08 17.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.876 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 58.9 p -127.61 -27.37 2.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.155 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 6.4 mt -108.97 159.65 16.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.875 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.42 ' CG2' ' HG2' ' A' ' 46' ' ' MET . 20.0 t -158.42 135.83 2.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.14 179.813 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 11.7 tt0 -85.59 123.04 30.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.938 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 2.4 m -124.76 165.92 21.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.147 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.453 ' HB2' ' CD1' ' A' ' 44' ' ' ILE . 6.9 tp -121.48 120.82 36.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.934 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.44 ' O ' ' C ' ' A' ' 57' ' ' TYR . 30.1 mt -79.76 46.59 0.79 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.913 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.44 ' C ' ' O ' ' A' ' 56' ' ' LEU . 30.0 p90 -35.26 -36.22 0.06 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.928 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.434 ' N ' ' CD1' ' A' ' 57' ' ' TYR . 6.5 p-10 -48.69 -49.78 36.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.918 179.857 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 35.1 m -100.83 -42.16 9.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.129 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 112.76 49.16 0.6 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.513 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 43.0 t -137.36 126.69 35.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.816 0.341 . . . . 0.0 111.119 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -92.78 118.61 31.27 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.863 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -150.04 175.73 11.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.951 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.419 HG22 ' N ' ' A' ' 65' ' ' VAL . 3.5 p -131.54 133.85 61.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.093 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.449 ' CG1' HG23 ' A' ' 30' ' ' VAL . 5.4 m -125.54 176.64 5.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.126 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 5.5 t30 -88.18 136.74 32.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.875 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 16.1 m -52.09 -40.57 30.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.127 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.411 ' HA ' ' NE1' ' A' ' 17' ' ' TRP . 0.5 OUTLIER -53.67 -20.03 4.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.885 179.923 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 2.6 m -98.92 -23.42 15.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.873 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 87.2 mt -70.1 156.73 38.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.969 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 3.4 mmp_? -140.66 157.94 44.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.879 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 26.1 mtpp -77.06 117.72 18.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.94 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 2.1 tp -69.26 100.73 1.36 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.963 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 24.2 mm-40 -80.44 149.97 29.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.877 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 25.6 tt0 -55.21 -54.46 43.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.887 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 14.6 p-10 -47.08 -50.27 20.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.902 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 51.3 mt . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.931 179.97 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 4.0 mtp . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.721 0.296 . . . . 0.0 110.843 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 5.4 mp -42.68 -43.25 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.155 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -56.59 -59.66 4.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.085 179.804 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -54.77 -57.27 12.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.157 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . 0.559 ' CD1' ' HB3' ' A' ' 71' ' ' ARG . 40.2 m-85 -51.6 -57.32 9.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.917 -179.881 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 9.6 tm-20 -51.35 -54.68 23.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.853 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 8.8 t30 -54.66 -44.6 73.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.862 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.1 t -64.16 162.3 14.7 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.846 -179.825 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.3 mmmp? -116.35 173.91 6.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.861 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . 0.5 ' CH2' ' HA ' ' A' ' 19' ' ' PRO . 79.8 t90 -55.91 142.99 33.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.945 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 16.8 tp10 -135.08 134.79 21.9 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.628 0.727 . . . . 0.0 110.933 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.5 ' HA ' ' CH2' ' A' ' 17' ' ' TRP . 53.9 Cg_endo -69.72 96.5 0.59 Allowed 'Trans proline' 0 C--O 1.231 0.144 0 C-N-CA 122.744 2.296 . . . . 0.0 112.337 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 4.8 p -135.2 140.14 45.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.105 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 25.2 ttmt -88.62 114.8 25.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.886 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . 0.552 ' CZ3' ' HB3' ' A' ' 28' ' ' CYS . 78.8 m95 -76.08 113.9 14.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.943 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -95.99 158.99 15.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.859 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 8.9 m120 -59.92 157.55 12.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.908 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 46.0 49.48 12.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.918 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' MET . . . . . 0.452 ' HB2' ' CG1' ' A' ' 43' ' ' ILE . 39.7 mmm -113.38 172.84 6.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.896 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 13.4 m170 -121.68 139.86 53.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.862 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.552 ' HB3' ' CZ3' ' A' ' 22' ' ' TRP . 24.8 p -162.73 168.99 20.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.846 -179.878 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -111.17 124.25 51.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.057 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.447 HG22 ' N ' ' A' ' 31' ' ' LYS . 7.2 p -106.02 154.29 7.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.148 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.447 ' N ' HG22 ' A' ' 30' ' ' VAL . 16.6 ttpp -108.93 121.31 44.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.905 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 29.5 mt -68.64 140.72 18.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.146 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.412 ' HG3' ' N ' ' A' ' 34' ' ' ASP . 27.4 pt20 -81.54 -52.96 6.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.892 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.412 ' N ' ' HG3' ' A' ' 33' ' ' GLN . 18.1 m-20 -61.87 -46.89 87.47 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.865 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.464 ' HD3' ' N ' ' A' ' 35' ' ' LYS . 0.0 OUTLIER -98.41 -178.58 4.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.911 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 14.2 m120 -123.86 36.47 4.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.868 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 72.6 mt-30 -114.95 132.34 56.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.91 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 42.8 m95 -82.55 111.37 18.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.88 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 5.1 mmp_? -104.79 172.15 6.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.877 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -107.0 156.92 18.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.883 -179.905 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -148.54 162.96 28.96 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.492 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.449 ' O ' ' N ' ' A' ' 44' ' ' ILE . 36.6 tt0 -116.75 118.1 31.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.779 0.323 . . . . 0.0 110.892 -179.906 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.452 ' CG1' ' HB2' ' A' ' 26' ' ' MET . 45.7 mm -47.42 91.61 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.148 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.449 ' N ' ' O ' ' A' ' 42' ' ' GLN . 54.1 mt -70.7 -66.67 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.148 179.863 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 6.4 ptm180 -154.96 121.27 5.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.875 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 37.2 mtp -67.77 111.98 4.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.908 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 18.9 t -75.25 -68.56 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.127 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 75.0 p -125.32 172.59 9.47 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.156 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 66.9 m-20 -58.23 -12.03 3.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.914 179.844 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 72.2 p -120.58 -35.36 3.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.169 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 68.4 mt -91.88 146.82 23.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.888 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.405 ' C ' HG23 ' A' ' 64' ' ' VAL . 37.2 t -152.75 130.27 2.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.15 179.835 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.416 ' O ' ' N ' ' A' ' 44' ' ' ILE . 12.8 tt0 -84.32 121.66 27.84 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.902 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 6.1 m -124.11 156.48 31.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.173 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.424 ' HB2' ' CD1' ' A' ' 44' ' ' ILE . 11.7 tp -111.85 120.67 42.72 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.918 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.421 ' O ' ' C ' ' A' ' 57' ' ' TYR . 47.8 mt -78.43 49.86 0.89 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.907 179.892 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.421 ' C ' ' O ' ' A' ' 56' ' ' LEU . 39.2 p90 -36.84 -35.52 0.09 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.919 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -50.3 -48.45 55.1 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.843 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 33.7 m -101.51 -45.11 11.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.126 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 114.75 48.24 0.55 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.516 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 43.1 t -136.09 126.25 41.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.791 0.329 . . . . 0.0 111.156 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -91.34 118.92 30.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.883 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -152.23 176.24 11.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.927 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.405 HG23 ' C ' ' A' ' 52' ' ' VAL . 3.5 p -129.66 131.34 66.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.1 179.823 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 13.6 m -124.12 164.61 22.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.124 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 25.9 t30 -78.45 132.75 37.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.855 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 19.1 m -49.39 -19.33 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.155 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -63.88 -37.15 86.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.848 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 7.9 m -85.3 -27.05 26.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.921 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 35.9 mt -61.26 138.79 58.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.927 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.559 ' HB3' ' CD1' ' A' ' 12' ' ' TYR . 51.9 mmt-85 -126.04 144.89 50.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.933 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 36.9 mtmt -71.55 118.78 14.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.932 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 3.6 tp -67.28 96.69 0.5 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.914 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 37.6 mm-40 -64.11 145.74 55.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.86 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -61.68 -26.0 67.75 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.883 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 16.3 t-20 -71.56 -59.75 2.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.889 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 81.0 mt . . . . . 0 C--N 1.328 -0.359 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.894 179.979 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 6.2 mtp . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.77 0.319 . . . . 0.0 110.913 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 4.9 mp -54.42 -44.62 67.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.151 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -56.62 -49.87 73.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.119 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.8 -59.4 4.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.066 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . 0.454 ' CZ ' HD13 ' A' ' 77' ' ' LEU . 42.4 m-85 -47.75 -50.63 24.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.986 -179.893 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -60.88 -45.69 93.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.887 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -60.1 -38.11 81.97 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.885 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.2 t -72.63 179.04 3.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.897 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.413 ' O ' ' C ' ' A' ' 17' ' ' TRP . 3.7 mtmp? -136.11 144.62 45.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.892 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . 0.432 ' CH2' ' HA ' ' A' ' 19' ' ' PRO . 48.5 t90 -37.29 130.33 0.92 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.904 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -122.03 140.32 32.02 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.616 0.722 . . . . 0.0 110.91 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.432 ' HA ' ' CH2' ' A' ' 17' ' ' TRP . 53.5 Cg_endo -69.74 91.42 0.51 Allowed 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.665 2.244 . . . . 0.0 112.353 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 4.1 p -126.56 137.73 56.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.106 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 22.2 tptp -86.25 110.82 19.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.896 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . 0.533 ' CZ3' ' HB3' ' A' ' 28' ' ' CYS . 82.4 m95 -73.04 123.44 23.54 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.928 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -107.27 156.63 18.66 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.86 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 26.9 t-20 -56.33 144.27 31.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.87 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 4.5 t70 61.66 51.92 3.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.83 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 26.8 mmm -122.8 164.59 18.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.887 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 17.7 m170 -114.55 147.82 38.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.845 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.533 ' HB3' ' CZ3' ' A' ' 22' ' ' TRP . 26.6 p -167.05 157.88 11.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.872 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -97.37 114.94 26.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.118 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.405 ' N ' ' O ' ' A' ' 39' ' ' ARG . 4.6 p -89.82 149.02 4.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.098 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.517 ' HB2' ' CH2' ' A' ' 38' ' ' TRP . 36.1 tttt -108.66 125.06 51.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.916 179.864 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 39.0 mt -82.64 144.09 10.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.165 179.855 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 16.8 pt20 -91.36 -39.06 12.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.957 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -75.67 -14.71 60.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.894 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 38.1 mmtt -127.06 176.29 7.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.955 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 50.2 t30 -119.84 36.35 4.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.882 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 50.6 mt-30 -116.42 177.38 4.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.921 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . 0.517 ' CH2' ' HB2' ' A' ' 31' ' ' LYS . 52.4 m95 -129.73 111.57 12.78 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.921 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.405 ' O ' ' N ' ' A' ' 30' ' ' VAL . 97.1 mtt180 -105.42 178.21 4.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.83 -179.909 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -116.97 162.57 17.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.847 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -153.1 162.28 30.05 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.488 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 42.6 tt0 -113.1 116.2 29.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.797 0.332 . . . . 0.0 110.932 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 47.4 mm -46.24 96.53 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.096 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.462 ' CD1' ' HB2' ' A' ' 55' ' ' LEU . 69.6 mt -77.0 -67.65 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.153 179.823 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.424 ' O ' ' CG ' ' A' ' 45' ' ' ARG . 19.6 ptt180 -154.11 121.28 5.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 49.6 mtp -68.04 112.52 5.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.883 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 78.4 t -73.7 -66.97 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.156 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 46.7 p -125.0 173.55 8.6 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.117 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 69.9 m-20 -61.35 -9.08 4.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.892 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 15.4 p -121.73 -34.24 3.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.123 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 35.7 mt -95.33 154.42 17.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.904 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.414 ' C ' HG23 ' A' ' 64' ' ' VAL . 47.6 t -157.21 132.24 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.18 179.821 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 16.3 tt0 -84.31 122.68 29.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.886 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 4.8 m -124.43 162.71 25.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.117 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.462 ' HB2' ' CD1' ' A' ' 44' ' ' ILE . 12.4 tp -119.5 121.01 38.46 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.911 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.45 ' O ' ' C ' ' A' ' 57' ' ' TYR . 33.3 mt -77.32 47.84 0.59 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.904 179.885 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.45 ' C ' ' O ' ' A' ' 56' ' ' LEU . 47.7 p90 -34.33 -38.9 0.07 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.909 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -48.27 -51.43 25.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.869 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 34.1 m -97.56 -45.66 12.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.121 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 114.56 48.07 0.56 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.427 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 40.3 t -136.11 125.76 39.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.786 0.327 . . . . 0.0 111.165 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 -89.11 120.6 30.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.85 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -150.66 176.49 10.96 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.956 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.414 HG23 ' C ' ' A' ' 52' ' ' VAL . 4.1 p -134.51 125.77 47.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.161 179.816 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 6.3 m -120.07 168.14 12.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.114 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 35.9 t30 -82.07 134.11 35.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.89 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 15.6 m -47.18 -29.16 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.152 179.878 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 15.0 t0 -58.09 -37.26 74.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.906 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 5.6 m -80.47 -34.24 36.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.888 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 61.4 mt -57.06 150.95 16.05 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.945 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 12.2 mmt85 -142.9 149.35 38.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.888 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 1.7 mmmm -66.78 132.92 49.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.906 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 3.7 tp -93.4 93.2 8.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -69.6 160.61 31.22 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.873 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -68.66 -38.44 80.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.843 -179.878 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 5.7 m-20 -46.12 -58.24 3.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.895 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.454 HD13 ' CZ ' ' A' ' 12' ' ' TYR . 11.9 mt . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.924 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 3.2 mtp . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.738 0.304 . . . . 0.0 110.858 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 5.2 mp -49.26 -42.19 15.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.115 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.06 -59.49 4.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.071 179.829 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -52.18 -54.74 27.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.133 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 35.4 m-85 -57.05 -55.77 30.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.883 -179.831 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -47.21 -61.81 1.72 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.892 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -52.06 -47.23 65.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.936 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.0 m -63.45 143.07 58.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.889 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 15.0 ptpt -90.84 158.06 17.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.869 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . 0.506 ' CG ' ' N ' ' A' ' 18' ' ' GLU . 84.5 t90 -47.8 168.14 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.923 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.506 ' N ' ' CG ' ' A' ' 17' ' ' TRP . 7.3 tp10 -156.58 136.37 8.45 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.662 0.744 . . . . 0.0 110.859 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 100.86 0.85 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.702 2.268 . . . . 0.0 112.308 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 1.7 p -132.81 122.02 45.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.141 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 32.5 tttt -68.23 107.05 2.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.928 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . 0.492 ' CZ3' ' HB3' ' A' ' 28' ' ' CYS . 66.7 m95 -70.92 111.07 6.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.927 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -90.38 155.05 19.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.942 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.475 HD21 ' N ' ' A' ' 25' ' ' ASP . 0.4 OUTLIER -58.68 156.38 11.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.889 -179.917 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.475 ' N ' HD21 ' A' ' 24' ' ' ASN . 0.5 OUTLIER 47.71 52.21 12.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.844 179.873 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' MET . . . . . 0.443 ' HB2' ' CG1' ' A' ' 43' ' ' ILE . 27.2 mmm -118.47 174.29 6.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.895 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 19.1 m170 -119.82 140.68 50.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.878 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.492 ' HB3' ' CZ3' ' A' ' 22' ' ' TRP . 24.8 p -161.88 168.63 22.68 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.864 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -112.66 119.32 37.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.122 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.47 HG22 ' CG1' ' A' ' 65' ' ' VAL . 12.6 p -99.57 154.57 4.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.116 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.453 ' N ' HG23 ' A' ' 30' ' ' VAL . 13.7 ttpp -111.92 125.68 54.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.866 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.421 HG22 ' N ' ' A' ' 33' ' ' GLN . 63.7 mt -78.71 138.0 20.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.147 179.843 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.421 ' N ' HG22 ' A' ' 32' ' ' ILE . 28.1 pt20 -81.18 -46.16 15.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.905 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.404 ' OD2' ' NZ ' ' A' ' 35' ' ' LYS . 19.5 t0 -62.55 -39.14 92.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.837 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.404 ' NZ ' ' OD2' ' A' ' 34' ' ' ASP . 12.0 mptt -108.31 -177.06 3.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.885 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -125.96 40.7 3.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.928 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -125.44 137.56 53.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.899 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 56.0 m95 -84.75 124.8 31.95 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.932 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 56.1 mtt180 -111.34 179.98 3.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.892 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 89.5 mtm180 -118.14 142.58 47.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.86 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -142.68 148.64 20.43 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.524 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.465 ' O ' ' N ' ' A' ' 44' ' ' ILE . 48.9 tt0 -100.38 117.71 35.13 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.768 0.318 . . . . 0.0 110.906 -179.832 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.443 ' CG1' ' HB2' ' A' ' 26' ' ' MET . 47.1 mm -44.24 91.81 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.158 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.465 ' N ' ' O ' ' A' ' 42' ' ' GLN . 32.0 mt -68.32 -64.18 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.161 179.821 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -158.77 125.7 4.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.88 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' MET . . . . . 0.424 ' HE3' ' CG2' ' A' ' 52' ' ' VAL . 14.0 mtp -68.53 107.81 3.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.895 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 11.2 t -71.48 -68.7 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.128 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.3 p -129.18 -177.47 4.25 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.147 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -72.5 -6.33 43.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.844 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 48.0 p -125.52 -13.61 6.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.111 -179.84 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 74.7 mt -121.19 152.61 38.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.893 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.424 ' CG2' ' HE3' ' A' ' 46' ' ' MET . 19.9 t -154.91 133.08 2.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.13 179.851 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.42 ' O ' ' N ' ' A' ' 44' ' ' ILE . 12.7 tt0 -84.29 125.11 31.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.926 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -126.13 158.07 35.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.102 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.404 ' CD1' ' HG3' ' A' ' 62' ' ' GLU . 3.5 tp -115.73 119.66 36.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.955 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.491 ' O ' ' N ' ' A' ' 58' ' ' ASP . 66.2 mt -75.74 48.97 0.49 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.944 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.429 ' C ' ' O ' ' A' ' 56' ' ' LEU . 40.5 p90 -36.24 -30.39 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.926 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.491 ' N ' ' O ' ' A' ' 56' ' ' LEU . 10.6 p-10 -55.26 -49.38 72.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.837 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 35.6 m -101.82 -40.9 7.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.108 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 116.14 34.51 1.34 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.513 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 41.2 t -125.69 124.11 65.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.817 0.341 . . . . 0.0 111.122 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.404 ' HG3' ' CD1' ' A' ' 55' ' ' LEU . 7.3 mp0 -95.19 117.2 29.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.862 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -143.83 168.77 19.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.903 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.421 HG22 ' C ' ' A' ' 52' ' ' VAL . 4.8 p -119.98 127.94 75.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.163 179.831 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.47 ' CG1' HG22 ' A' ' 30' ' ' VAL . 4.6 m -120.58 172.01 8.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.145 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 3.9 t30 -82.7 130.68 35.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.885 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.419 ' CG1' HG23 ' A' ' 52' ' ' VAL . 13.4 m -46.44 -29.49 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.098 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.4 ' OD1' ' C ' ' A' ' 68' ' ' ASP . 6.3 t0 -52.43 -37.98 58.06 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.859 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 9.1 m -86.68 -27.99 23.42 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.873 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 32.2 mt -62.22 134.78 56.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.909 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 48.5 mmm-85 -135.28 149.97 49.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.882 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 44.5 mtmt -67.0 135.05 53.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.903 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 3.2 tp -87.57 94.86 9.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.918 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 38.0 mm-40 -52.3 166.25 0.19 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.881 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -78.95 -56.72 4.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.909 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 8.0 m-20 -52.47 -57.4 10.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.929 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 68.9 mt . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.929 179.903 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.9 mtp . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.717 0.294 . . . . 0.0 110.85 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 5.1 mp -44.8 -38.92 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.099 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.11 -60.88 2.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.121 179.808 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -56.99 -55.27 36.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.123 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . 0.42 ' CZ ' HD11 ' A' ' 77' ' ' LEU . 30.8 m-85 -51.0 -54.02 28.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.955 -179.868 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -57.85 -52.7 64.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.891 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 5.8 t30 -53.41 -42.63 67.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.883 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 7.3 t -67.57 158.49 31.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.86 -179.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 42.3 mttp -109.58 175.26 5.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.882 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 80.7 t90 -63.88 142.64 58.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.975 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -139.77 131.6 14.77 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.645 0.736 . . . . 0.0 110.887 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 100.34 0.82 Allowed 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.661 2.241 . . . . 0.0 112.287 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 2.7 p -134.82 111.97 14.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.093 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 19.1 ttmt -60.52 93.3 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.905 179.858 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . 0.499 ' CZ3' ' HB3' ' A' ' 28' ' ' CYS . 92.1 m95 -57.59 119.39 6.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.935 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.427 ' O ' ' CG2' ' A' ' 43' ' ' ILE . 42.5 mt-10 -96.11 174.53 6.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.87 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.432 ' O ' ' CG ' ' A' ' 25' ' ' ASP . 26.6 t-20 -74.17 160.3 31.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.892 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.432 ' CG ' ' O ' ' A' ' 24' ' ' ASN . 2.2 p30 46.11 50.7 11.6 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.837 179.889 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 25.1 mtp -119.79 175.43 5.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.902 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.418 ' HB3' ' CD2' ' A' ' 73' ' ' LEU . 10.9 m170 -122.84 138.0 54.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.865 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.499 ' HB3' ' CZ3' ' A' ' 22' ' ' TRP . 25.8 p -158.61 161.75 37.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.876 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -106.25 134.51 49.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.106 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.466 HG23 ' N ' ' A' ' 31' ' ' LYS . 4.0 p -116.06 157.12 17.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.107 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.544 ' HB2' ' CZ2' ' A' ' 38' ' ' TRP . 17.0 ttpp -103.22 133.96 47.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.931 179.876 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 10.5 mt -89.01 143.49 11.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.144 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 17.9 mt-30 -79.75 -62.87 1.55 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.9 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -53.21 -46.0 68.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.853 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 8.9 mmtp -98.3 -179.91 4.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.883 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 80.5 m-20 -123.86 36.13 4.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.906 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -112.06 -175.4 2.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.875 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . 0.544 ' CZ2' ' HB2' ' A' ' 31' ' ' LYS . 30.6 m95 -135.59 111.93 9.81 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.931 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 10.8 mtt85 -106.85 135.88 47.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.861 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 3.2 ptp85 -80.49 141.49 35.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.877 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -129.63 171.85 20.11 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.459 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.443 ' O ' ' N ' ' A' ' 44' ' ' ILE . 12.7 tt0 -108.33 120.57 42.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.806 0.336 . . . . 0.0 110.894 -179.882 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.427 ' CG2' ' O ' ' A' ' 23' ' ' GLU . 44.6 mm -52.57 88.33 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.159 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.443 ' N ' ' O ' ' A' ' 42' ' ' GLN . 54.9 mt -65.79 -69.44 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.15 179.885 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 6.9 ptm180 -156.47 123.87 5.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.869 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 39.6 mtp -67.81 108.41 2.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.851 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 44.2 t -66.75 -67.69 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.114 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 32.4 p -125.16 -177.09 3.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.138 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -74.44 -1.1 19.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.894 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -125.78 -26.42 3.49 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.132 -179.905 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 3.1 mt -111.12 158.53 18.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.901 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.414 ' C ' HG23 ' A' ' 64' ' ' VAL . 39.5 t -154.21 134.94 4.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.089 179.82 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -84.85 121.41 27.68 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.888 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 2.1 m -124.01 158.78 30.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.1 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.413 ' HB2' ' CD1' ' A' ' 44' ' ' ILE . 6.6 tp -116.57 120.16 37.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.915 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.444 ' O ' ' C ' ' A' ' 57' ' ' TYR . 29.3 mt -78.31 46.75 0.64 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.951 179.849 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.444 ' C ' ' O ' ' A' ' 56' ' ' LEU . 36.7 p90 -33.95 -36.81 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.972 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.433 ' N ' ' O ' ' A' ' 56' ' ' LEU . 2.0 p-10 -49.37 -53.82 20.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.882 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 34.4 m -95.45 -42.31 12.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.156 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 111.85 49.38 0.63 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.498 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 41.5 t -137.67 126.02 32.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.815 0.341 . . . . 0.0 111.096 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -92.18 119.52 31.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.885 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.402 HD23 ' N ' ' A' ' 63' ' ' LEU . 0.9 OUTLIER -151.19 174.46 13.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.874 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.414 HG23 ' C ' ' A' ' 52' ' ' VAL . 3.5 p -132.46 128.17 57.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.1 179.851 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 4.9 m -118.49 171.9 6.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.136 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 15.3 t30 -84.63 133.62 34.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.886 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 27.7 m -47.32 -21.22 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.102 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 83.6 m-20 -61.93 -38.05 87.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.844 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 5.2 m -85.84 -25.81 26.04 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.935 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.401 ' O ' ' CZ ' ' A' ' 71' ' ' ARG . 56.8 mt -62.97 139.02 58.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.906 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.401 ' CZ ' ' O ' ' A' ' 70' ' ' LEU . 10.4 mmp_? -134.64 153.87 51.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.84 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 6.0 mtpm? -69.74 117.96 11.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.873 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.418 ' CD2' ' HB3' ' A' ' 27' ' ' HIS . 4.9 tp -67.5 97.38 0.58 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.971 179.876 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 29.9 mm-40 -62.21 159.45 14.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.88 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 15.8 tt0 -73.94 -48.97 26.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.901 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -49.92 -54.43 19.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.886 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.42 HD11 ' CZ ' ' A' ' 12' ' ' TYR . 90.3 mt . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.919 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.3 mtt . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.773 0.32 . . . . 0.0 110.907 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 5.3 mp -52.63 -50.39 41.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.13 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -46.94 -53.35 12.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.1 179.842 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -67.14 -62.75 1.27 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.112 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . 0.504 ' CZ ' ' CD1' ' A' ' 77' ' ' LEU . 22.2 m-85 -43.24 -36.73 1.88 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.898 -179.858 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -74.56 -47.36 33.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.874 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . 0.426 ' OD1' ' C ' ' A' ' 14' ' ' ASN . 2.7 t30 -58.49 -42.36 87.43 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.898 -179.904 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 10.8 t -68.52 -176.77 0.82 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.881 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.439 ' N ' ' HD3' ' A' ' 16' ' ' LYS . 0.7 OUTLIER -146.08 171.78 14.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.879 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 74.5 t90 -39.93 152.6 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.927 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -157.84 137.0 8.17 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.632 0.73 . . . . 0.0 110.872 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 100.08 0.79 Allowed 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.723 2.282 . . . . 0.0 112.333 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 7.1 p -134.35 128.36 51.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.11 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 21.9 tptm -79.24 114.86 18.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.885 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . 0.497 ' CZ3' ' HB3' ' A' ' 28' ' ' CYS . 78.2 m95 -80.86 123.38 28.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.932 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 55.1 mm-40 -106.65 159.12 16.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.901 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 21.3 m120 -60.35 151.0 28.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.896 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 54.38 51.53 14.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.903 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 26.0 mmm -119.81 166.92 12.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.874 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 24.1 m170 -118.75 132.17 56.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.892 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.497 ' HB3' ' CZ3' ' A' ' 22' ' ' TRP . 26.7 p -151.26 165.68 33.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.853 -179.895 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -104.16 113.28 26.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.114 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.407 ' N ' ' O ' ' A' ' 39' ' ' ARG . 7.0 p -96.38 139.66 18.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.119 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.549 ' HB2' ' CH2' ' A' ' 38' ' ' TRP . 38.0 ttpt -98.8 133.02 43.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.886 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.419 HG21 ' N ' ' A' ' 33' ' ' GLN . 17.5 mt -79.97 145.8 8.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.154 179.862 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.419 ' N ' HG21 ' A' ' 32' ' ' ILE . 12.3 pt20 -91.11 -39.44 12.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.873 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -75.55 -39.73 57.83 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.879 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 12.5 mtmm -99.12 179.87 4.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.89 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -123.45 41.22 3.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.911 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 82.4 mt-30 -121.08 179.32 4.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.884 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . 0.549 ' CH2' ' HB2' ' A' ' 31' ' ' LYS . 57.1 m95 -124.93 117.4 23.98 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.941 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.407 ' O ' ' N ' ' A' ' 30' ' ' VAL . 97.1 mtt180 -114.75 163.89 14.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.861 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 1.2 mpp_? -106.4 151.74 24.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.88 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -141.65 159.47 26.84 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.45 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.476 ' O ' ' N ' ' A' ' 44' ' ' ILE . 40.8 tt0 -108.33 115.63 30.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.748 0.309 . . . . 0.0 110.895 -179.864 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 50.0 mm -45.5 91.01 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.106 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.476 ' N ' ' O ' ' A' ' 42' ' ' GLN . 22.3 mt -68.94 -63.97 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.12 179.853 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.4 ' O ' ' CG ' ' A' ' 45' ' ' ARG . 15.5 ptt180 -162.57 125.1 2.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.866 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 23.9 mtp -65.31 111.27 2.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.885 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 48.2 t -74.23 -66.25 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.109 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 29.7 p -127.26 -178.51 4.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.112 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -71.48 -2.92 18.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.886 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 46.1 p -128.23 -28.73 2.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.164 -179.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 62.0 mt -104.79 150.28 24.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.908 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 34.7 t -148.9 134.86 12.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.114 179.838 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.437 ' O ' ' N ' ' A' ' 44' ' ' ILE . 10.5 tt0 -84.43 122.13 28.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.892 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 2.6 m -126.13 158.23 35.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.121 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 7.9 tp -115.59 122.16 44.81 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.889 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.431 ' O ' ' C ' ' A' ' 57' ' ' TYR . 35.3 mt -78.61 49.26 0.86 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.95 179.869 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.431 ' C ' ' O ' ' A' ' 56' ' ' LEU . 42.4 p90 -36.14 -34.94 0.06 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.901 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.406 ' N ' ' O ' ' A' ' 56' ' ' LEU . 4.4 p-10 -51.27 -49.54 61.02 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.865 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 34.2 m -101.11 -44.78 11.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.176 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 113.47 52.55 0.48 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.512 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 44.9 t -139.85 126.37 22.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.782 0.325 . . . . 0.0 111.143 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 -89.02 119.82 29.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.894 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -150.08 176.27 10.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.9 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 2.6 p -135.33 130.34 50.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.187 179.796 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 8.2 m -122.97 174.52 7.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.144 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 9.5 t30 -85.94 134.93 33.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.956 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 4.0 m -46.59 -32.25 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.09 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -58.84 -36.35 74.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.836 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 4.9 m -79.15 -30.62 43.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.903 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 96.3 mt -63.13 157.53 22.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.944 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.424 ' HG3' ' CH2' ' A' ' 38' ' ' TRP . 15.3 mmt85 -141.93 152.2 43.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.906 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 19.1 mtpp -77.04 123.55 26.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.867 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 4.9 tp -76.89 115.81 17.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.929 179.874 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 52.7 mt-10 -81.48 164.38 22.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.899 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 -72.52 -35.02 67.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.876 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 35.0 m-20 -64.79 -56.34 14.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.875 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.504 ' CD1' ' CZ ' ' A' ' 12' ' ' TYR . 61.0 mt . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.931 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' MET . . . . . 0.467 ' CE ' ' HD2' ' A' ' 40' ' ' ARG . 3.6 mtp . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.74 0.305 . . . . 0.0 110.919 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 5.3 mp -44.46 -45.28 2.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.131 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -52.81 -63.46 1.14 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.093 179.787 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -54.85 -57.18 12.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.084 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . 0.511 ' HB3' ' CE2' ' A' ' 38' ' ' TRP . 30.7 m-85 -47.74 -61.12 2.1 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.9 -179.84 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -49.48 -44.63 46.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.946 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -59.63 -43.48 93.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.877 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.1 t -69.22 173.93 5.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.875 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.444 ' O ' ' NH2' ' A' ' 71' ' ' ARG . 52.5 mttm -129.29 172.47 11.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.911 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . 0.419 ' CG ' ' N ' ' A' ' 18' ' ' GLU . 78.8 t90 -54.92 169.58 0.22 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.953 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.419 ' N ' ' CG ' ' A' ' 17' ' ' TRP . 4.7 tp10 -165.91 131.67 1.96 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.616 0.722 . . . . 0.0 110.878 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 97.81 0.65 Allowed 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.712 2.275 . . . . 0.0 112.354 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 2.7 p -133.02 132.04 58.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.127 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 14.1 ttmm -75.24 108.43 8.0 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.909 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . 0.508 ' CZ3' ' HB3' ' A' ' 28' ' ' CYS . 69.1 m95 -70.66 116.58 11.15 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.929 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -96.83 167.87 10.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.92 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.422 ' O ' ' C ' ' A' ' 25' ' ' ASP . 23.7 m120 -65.95 165.49 13.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.88 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.422 ' C ' ' O ' ' A' ' 24' ' ' ASN . 5.7 m-20 35.93 53.73 0.9 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.876 179.88 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 30.8 mmm -118.5 162.92 17.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.864 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 6.3 m170 -109.72 135.42 50.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.851 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.508 ' HB3' ' CZ3' ' A' ' 22' ' ' TRP . 25.8 p -159.45 161.06 35.42 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.887 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -110.53 123.08 49.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.1 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.428 ' N ' ' O ' ' A' ' 39' ' ' ARG . 2.5 p -98.28 131.87 44.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.119 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 34.0 ttpt -95.27 131.42 41.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.938 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 19.0 mt -79.44 144.62 10.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.148 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.43 ' HG2' ' N ' ' A' ' 34' ' ' ASP . 4.9 pm0 -94.33 -30.32 14.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.43 ' N ' ' HG2' ' A' ' 33' ' ' GLN . 56.1 m-20 -85.83 -2.26 58.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.861 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 26.5 mmmt -143.13 -179.47 6.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.944 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 27.7 m-80 -119.09 28.94 7.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.899 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.478 ' NE2' ' NH1' ' A' ' 39' ' ' ARG . 0.2 OUTLIER -114.77 136.29 53.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.92 -179.959 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . 0.511 ' CE2' ' HB3' ' A' ' 12' ' ' TYR . 16.3 m95 -87.53 119.25 27.63 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.886 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.478 ' NH1' ' NE2' ' A' ' 37' ' ' GLN . 21.0 mmt-85 -104.01 155.83 18.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.845 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.467 ' HD2' ' CE ' ' A' ' 8' ' ' MET . 2.0 mpp_? -101.93 152.36 21.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.879 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -151.97 154.34 25.48 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.483 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.46 ' O ' ' N ' ' A' ' 44' ' ' ILE . 56.2 tt0 -109.6 114.71 28.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.741 0.305 . . . . 0.0 110.917 -179.848 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 49.8 mm -42.56 93.27 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.143 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.46 ' N ' ' O ' ' A' ' 42' ' ' GLN . 53.1 mt -72.1 -68.07 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.142 179.837 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 5.2 ptm180 -156.72 127.52 6.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.876 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 16.7 mtp -69.81 119.68 14.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.905 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 43.5 t -84.68 -63.19 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.152 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 18.1 p -127.94 -176.13 3.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.153 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -74.94 -5.2 42.53 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.856 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 42.7 p -125.36 -26.61 3.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.106 -179.85 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 96.1 mt -104.87 155.69 18.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.903 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.422 HG22 ' CG1' ' A' ' 67' ' ' VAL . 20.6 t -156.15 133.4 2.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.142 179.792 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -84.3 122.65 29.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.903 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 2.8 m -125.98 158.69 35.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.095 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.445 ' HB2' ' CD1' ' A' ' 44' ' ' ILE . 6.9 tp -117.24 120.13 37.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.917 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.436 ' O ' ' C ' ' A' ' 57' ' ' TYR . 24.4 mt -76.94 47.76 0.54 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.927 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.436 ' C ' ' O ' ' A' ' 56' ' ' LEU . 53.0 p90 -35.72 -35.26 0.06 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.931 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.407 ' N ' ' O ' ' A' ' 56' ' ' LEU . 1.1 t70 -51.36 -49.37 61.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.879 179.897 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 34.5 m -99.79 -44.52 11.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.148 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 115.55 44.01 0.67 Allowed Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.478 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 41.1 t -133.09 124.64 50.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.834 0.35 . . . . 0.0 111.117 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -91.88 118.93 31.19 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.877 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -150.52 173.25 14.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.917 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 4.1 p -129.08 128.99 67.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.126 179.842 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 6.3 m -122.03 171.85 10.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.092 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 11.6 t30 -81.8 136.6 35.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.857 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.422 ' CG1' HG22 ' A' ' 52' ' ' VAL . 24.9 m -50.51 -30.07 7.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.107 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 30.3 t0 -53.07 -39.16 63.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.868 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 21.7 m -84.78 -24.28 28.81 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.914 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 18.0 mt -63.79 133.1 52.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.884 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.444 ' NH2' ' O ' ' A' ' 16' ' ' LYS . 7.8 tpt85 -129.25 154.69 46.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.842 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 26.3 mtmm -71.67 141.81 49.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.892 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 2.5 tp -88.49 101.5 13.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.908 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 33.6 mm-40 -59.0 130.43 47.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.878 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -58.18 -29.34 65.56 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.927 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 62.1 t30 -66.31 -53.19 39.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.909 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 68.8 mt . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.955 179.912 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.9 mtp . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.741 0.305 . . . . 0.0 110.907 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 4.8 mp -40.31 -52.11 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.11 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -51.27 -59.65 3.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.121 179.821 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -51.19 -59.88 3.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.097 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . 0.495 ' O ' ' N ' ' A' ' 15' ' ' SER . 23.6 m-85 -52.57 -68.57 0.16 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.953 -179.835 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.424 ' C ' ' O ' ' A' ' 12' ' ' TYR . 1.9 tp10 -36.03 -52.86 0.77 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.907 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 9.2 t-20 -64.98 -36.59 84.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.874 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.495 ' N ' ' O ' ' A' ' 12' ' ' TYR . 3.9 p -54.64 166.68 0.43 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.876 -179.839 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.0 ptpt -126.3 148.05 49.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.909 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . 0.473 ' CH2' ' HA ' ' A' ' 19' ' ' PRO . 67.9 t90 -49.93 147.48 3.86 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.946 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -142.74 140.49 18.48 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.614 0.721 . . . . 0.0 110.902 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.473 ' HA ' ' CH2' ' A' ' 17' ' ' TRP . 53.8 Cg_endo -69.79 96.93 0.61 Allowed 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.64 2.227 . . . . 0.0 112.354 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 2.4 p -130.73 134.73 61.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.119 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 15.4 ttmt -83.36 105.09 14.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.87 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . 0.421 ' CZ2' ' HB3' ' A' ' 70' ' ' LEU . 58.0 m95 -67.37 132.39 47.57 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.962 179.874 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -116.0 156.4 26.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.895 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 14.9 t-20 -59.44 148.45 32.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.872 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 17.1 t70 59.5 52.18 5.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.866 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 19.6 mmm -126.46 165.96 18.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.912 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 19.1 m170 -120.64 142.67 49.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.864 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.8 p -160.53 159.13 30.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.923 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.415 ' CB ' ' CZ ' ' A' ' 12' ' ' TYR . . . -94.95 129.74 41.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.135 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.43 HG21 ' N ' ' A' ' 31' ' ' LYS . 7.3 p -117.58 145.29 23.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.172 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.565 ' HB2' ' CZ2' ' A' ' 38' ' ' TRP . 25.7 ttpt -105.05 117.62 34.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.88 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.448 HG21 ' N ' ' A' ' 33' ' ' GLN . 48.4 mt -74.66 141.42 16.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.121 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.448 ' N ' HG21 ' A' ' 32' ' ' ILE . 6.7 pt20 -80.25 -54.41 5.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.891 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -56.74 -37.84 71.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.847 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 6.7 mmpt? -104.84 171.1 7.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.889 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 4.9 m120 -118.07 39.16 3.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.877 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -121.35 -176.18 3.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.904 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . 0.565 ' CZ2' ' HB2' ' A' ' 31' ' ' LYS . 43.2 m95 -136.07 125.77 25.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.903 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.443 ' CD ' HD13 ' A' ' 32' ' ' ILE . 5.4 ptp180 -134.15 130.59 37.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.878 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -74.53 153.2 39.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.86 -179.886 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -135.2 178.04 18.89 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.477 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.46 ' O ' ' N ' ' A' ' 44' ' ' ILE . 42.7 tt0 -115.92 115.49 26.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.794 0.331 . . . . 0.0 110.87 -179.865 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 35.3 mm -49.96 89.42 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.139 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.465 ' CD1' ' HB2' ' A' ' 55' ' ' LEU . 57.3 mt -65.61 -68.96 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.125 179.867 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 4.4 ptm180 -154.83 124.79 6.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.872 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 17.0 mtp -67.6 117.69 9.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.883 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 34.7 t -78.73 -62.34 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.161 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 37.8 p -134.03 -175.37 3.82 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.17 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -72.09 -9.53 58.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.885 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 25.1 p -125.63 -7.31 6.83 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.137 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 55.6 mt -122.74 151.28 41.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.878 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.441 HG22 ' CG1' ' A' ' 67' ' ' VAL . 56.7 t -155.32 130.63 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.1 179.803 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 13.7 tt0 -84.44 120.77 26.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.903 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 3.5 m -122.33 160.49 24.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.172 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.465 ' HB2' ' CD1' ' A' ' 44' ' ' ILE . 7.9 tp -119.8 120.3 36.1 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.913 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.424 ' O ' ' N ' ' A' ' 58' ' ' ASP . 41.9 mt -76.92 47.75 0.54 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.898 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.422 ' C ' ' O ' ' A' ' 56' ' ' LEU . 30.7 p90 -35.69 -34.68 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.927 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.424 ' N ' ' O ' ' A' ' 56' ' ' LEU . 4.9 t0 -52.53 -49.85 64.03 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.867 179.879 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 34.3 m -97.8 -44.14 12.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.146 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 113.73 47.42 0.62 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.479 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 42.8 t -137.1 126.5 36.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.751 0.31 . . . . 0.0 111.133 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -91.18 119.31 31.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.881 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -150.91 174.57 12.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.943 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 3.6 p -130.98 124.32 55.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.094 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.411 ' CG1' HG23 ' A' ' 30' ' ' VAL . 8.3 m -112.6 169.93 4.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.108 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 3.6 t30 -83.92 134.75 34.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.876 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.441 ' CG1' HG22 ' A' ' 52' ' ' VAL . 19.4 m -46.84 -20.35 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.178 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -64.22 -38.9 92.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.912 179.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 13.1 m -82.42 -24.94 34.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.856 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.421 ' HB3' ' CZ2' ' A' ' 22' ' ' TRP . 43.4 mt -64.25 137.02 57.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.891 -179.903 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 17.3 mmt85 -136.09 152.63 51.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.907 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 5.4 mmmm -71.35 119.56 15.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.903 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 5.8 tp -62.8 94.39 0.07 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.889 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -53.65 163.91 0.61 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.857 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -78.44 -49.89 12.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.854 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 12.3 m-20 -55.59 -52.53 63.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.886 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 69.7 mt . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.882 179.986 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 7.4 mtp . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.751 0.31 . . . . 0.0 110.891 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.486 ' CG2' ' OE2' ' A' ' 13' ' ' GLU . 5.3 mp -48.16 -48.66 12.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.163 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.26 -56.54 18.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.129 179.816 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -56.2 -58.35 8.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.075 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 46.8 m-85 -53.38 -39.5 64.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.914 -179.855 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.486 ' OE2' ' CG2' ' A' ' 9' ' ' ILE . 20.6 mt-10 -67.47 -41.24 84.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.857 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 39.7 t30 -63.78 -45.34 90.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.899 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 11.1 t -59.65 177.81 0.19 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 26.2 mtpt -129.51 -176.08 3.78 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.924 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 75.2 t90 -68.82 159.1 33.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.924 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.415 ' CD ' ' HD2' ' A' ' 19' ' ' PRO . 6.1 tp10 -164.7 137.83 3.87 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.617 0.722 . . . . 0.0 110.919 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.415 ' HD2' ' CD ' ' A' ' 18' ' ' GLU . 53.7 Cg_endo -69.76 98.3 0.68 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.66 2.24 . . . . 0.0 112.351 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 2.8 p -129.61 107.85 15.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.147 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 15.5 ttmt -60.44 113.47 2.43 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.876 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 83.1 m95 -77.25 114.88 16.54 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.885 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 54.9 mt-10 -89.32 159.21 17.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.865 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -66.81 149.62 50.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.892 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 59.27 50.21 8.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.851 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 13.5 mmm -120.92 167.74 12.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.851 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 67.6 m170 -118.0 132.8 56.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.822 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 4.2 p -152.55 170.28 20.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.931 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -110.92 113.9 26.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.089 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 1.3 p -90.4 142.32 13.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.148 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.563 ' HB2' ' CH2' ' A' ' 38' ' ' TRP . 24.2 tttp -97.07 126.01 41.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.94 179.895 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.451 HG22 ' CB ' ' A' ' 35' ' ' LYS . 11.2 mt -78.52 143.98 11.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.157 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 5.9 mm-40 -75.19 -75.23 0.18 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.919 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -60.53 -40.98 93.46 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.853 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.451 ' CB ' HG22 ' A' ' 32' ' ' ILE . 0.8 OUTLIER -83.98 150.36 25.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.906 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 48.8 m-20 -109.04 35.75 3.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.854 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 5.1 tt0 -122.2 133.4 54.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.926 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . 0.563 ' CH2' ' HB2' ' A' ' 31' ' ' LYS . 66.5 m95 -83.5 121.95 27.89 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.894 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.467 ' CZ ' ' HA ' ' A' ' 39' ' ' ARG . 1.0 OUTLIER -108.97 -176.34 3.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.841 -179.964 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 42.4 mtt180 -120.0 144.81 47.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.863 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -140.36 153.55 23.56 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.527 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.446 ' HB2' ' CD1' ' A' ' 57' ' ' TYR . 48.4 tt0 -106.74 115.94 31.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.77 0.319 . . . . 0.0 110.911 -179.866 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 48.3 mm -47.77 91.53 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.13 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.441 ' N ' ' O ' ' A' ' 42' ' ' GLN . 51.5 mt -70.17 -67.35 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.108 179.859 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 7.6 ptm180 -159.81 125.23 4.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.862 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 37.8 mtp -67.35 118.68 11.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.869 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 47.3 t -81.85 -70.15 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.156 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 59.1 p -117.4 -179.45 3.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.175 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -71.33 -8.4 53.45 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.902 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 38.6 p -125.98 -12.06 6.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.12 -179.872 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 24.0 mt -116.33 154.61 29.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.867 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 30.7 t -155.69 133.7 2.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.099 179.845 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -84.29 123.44 30.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.922 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 2.7 m -127.93 159.84 38.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.116 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 9.9 tp -119.06 121.64 40.29 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.932 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.488 ' O ' ' N ' ' A' ' 58' ' ' ASP . 28.8 mt -76.21 48.64 0.52 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.939 179.853 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.446 ' CD1' ' HB2' ' A' ' 42' ' ' GLN . 38.3 p90 -37.02 -29.09 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.919 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.488 ' N ' ' O ' ' A' ' 56' ' ' LEU . 6.9 t70 -57.77 -49.93 74.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.85 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 34.2 m -99.44 -42.11 10.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.131 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 111.86 48.87 0.65 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.471 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 40.3 t -136.67 124.83 34.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.798 0.333 . . . . 0.0 111.141 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -88.78 120.46 30.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.889 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.415 ' N ' HD23 ' A' ' 63' ' ' LEU . 0.9 OUTLIER -153.24 175.77 12.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.897 -179.948 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 2.7 p -133.98 124.59 47.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.126 179.834 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 4.0 m -114.4 177.31 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.109 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 4.5 t30 -89.88 138.96 31.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.844 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 15.3 m -52.81 -25.72 9.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.112 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -63.13 -27.96 69.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.878 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 17.5 m -97.66 -5.81 34.55 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.887 -179.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 22.1 mt -81.13 138.71 35.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.977 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.449 ' HG3' ' CZ3' ' A' ' 38' ' ' TRP . 4.2 mmp_? -124.75 156.29 37.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.873 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.05 121.92 31.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.894 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 1.5 tp -73.22 117.98 15.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.912 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -76.81 172.03 13.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.857 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 15.6 tt0 -80.8 -40.35 25.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.9 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -69.1 -55.02 11.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.906 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 32.7 mt . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.913 179.988 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 2.1 mtp . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.749 0.309 . . . . 0.0 110.894 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 4.5 mp -45.22 -48.41 3.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.116 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -50.28 -63.03 1.24 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.099 179.817 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -53.22 -60.21 3.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.069 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 30.4 m-85 -45.38 -42.14 9.83 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.927 -179.85 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 10.3 tm-20 -62.9 -54.81 32.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.875 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 14.6 t-20 -55.41 -48.86 73.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.891 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 5.8 t -58.83 120.99 10.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.869 -179.835 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 11.0 ptpt -79.24 145.83 33.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.903 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . 0.453 ' CH2' ' HA ' ' A' ' 19' ' ' PRO . 85.1 t90 -46.75 158.98 0.11 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.932 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -152.33 140.48 13.43 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.601 0.715 . . . . 0.0 110.912 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.453 ' HA ' ' CH2' ' A' ' 17' ' ' TRP . 53.8 Cg_endo -69.77 100.23 0.81 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.689 2.259 . . . . 0.0 112.315 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 2.1 p -133.44 127.48 53.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.144 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 19.0 tptt -76.06 110.94 10.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.88 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . 0.486 ' CZ3' ' HB3' ' A' ' 28' ' ' CYS . 95.6 m95 -72.71 139.64 47.34 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.917 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -117.95 151.72 36.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.913 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 7.3 t-20 -59.06 147.73 33.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.91 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 26.7 t70 63.27 49.33 3.31 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.814 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 31.7 mtp -125.32 166.81 15.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.875 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 14.2 m170 -119.0 147.3 44.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.865 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.486 ' HB3' ' CZ3' ' A' ' 22' ' ' TRP . 24.0 p -170.63 175.47 4.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.884 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -112.88 152.26 29.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.107 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.459 HG21 ' CG1' ' A' ' 65' ' ' VAL . 4.9 p -135.86 156.77 37.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.135 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.564 ' HB2' ' CZ2' ' A' ' 38' ' ' TRP . 23.2 ttpt -103.8 121.42 43.0 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.895 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 45.6 mt -70.69 138.8 21.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.143 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 30.0 mm-40 -74.66 -64.1 1.11 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.94 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -57.64 -40.41 79.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.858 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 8.0 mmmm -96.11 175.08 6.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.872 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 5.3 m-80 -119.9 29.56 7.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.907 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 43.9 mt-30 -109.99 -179.19 3.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.891 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . 0.564 ' CZ2' ' HB2' ' A' ' 31' ' ' LYS . 16.5 m95 -129.51 110.01 11.51 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.906 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 74.4 mtt180 -103.84 155.28 18.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.899 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 79.5 mtm180 -92.02 159.1 15.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -151.46 161.11 29.05 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.517 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.428 ' O ' ' N ' ' A' ' 44' ' ' ILE . 40.1 tt0 -109.38 116.88 32.67 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.756 0.312 . . . . 0.0 110.927 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 44.1 mm -45.04 93.76 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.138 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.428 ' N ' ' O ' ' A' ' 42' ' ' GLN . 47.1 mt -71.49 -65.09 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.136 179.858 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 4.5 ptm180 -161.53 126.44 3.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.837 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' MET . . . . . 0.445 ' HG2' ' CG2' ' A' ' 52' ' ' VAL . 35.8 mtp -68.99 125.17 25.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.913 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 61.2 t -90.52 -64.64 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.142 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 39.0 p -126.57 179.21 5.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.131 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -70.99 -9.35 57.85 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.901 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 17.6 p -126.15 -0.38 7.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.124 -179.863 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 28.0 mt -130.56 154.77 47.49 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.875 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.445 ' CG2' ' HG2' ' A' ' 46' ' ' MET . 38.3 t -158.09 134.65 2.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.148 179.801 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 15.1 tt0 -86.02 125.92 33.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.92 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 3.2 m -127.59 165.35 26.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.131 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.406 ' CD1' ' HG3' ' A' ' 62' ' ' GLU . 4.6 tp -121.04 120.41 35.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.889 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.49 ' O ' ' N ' ' A' ' 58' ' ' ASP . 19.0 mt -75.72 48.91 0.49 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.965 179.868 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.456 ' C ' ' O ' ' A' ' 56' ' ' LEU . 30.9 p90 -33.89 -34.19 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.908 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.49 ' N ' ' O ' ' A' ' 56' ' ' LEU . 5.9 p-10 -50.32 -51.12 48.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.86 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 34.2 m -100.92 -38.08 5.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.129 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 111.91 38.82 1.36 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.523 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 43.2 t -130.64 125.64 59.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.755 0.312 . . . . 0.0 111.121 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.406 ' HG3' ' CD1' ' A' ' 55' ' ' LEU . 3.7 mp0 -93.05 117.55 30.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.897 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -139.49 174.25 10.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.861 -179.924 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -125.44 123.63 65.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.126 179.839 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.459 ' CG1' HG21 ' A' ' 30' ' ' VAL . 13.1 m -117.99 165.88 12.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.109 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 4.1 t30 -79.7 133.52 36.36 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.926 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 16.1 m -50.91 -23.0 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.091 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.45 ' HA ' ' CD1' ' A' ' 17' ' ' TRP . 6.0 t70 -62.93 -34.08 76.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.904 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 4.6 m -85.6 -27.7 25.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.873 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 41.6 mt -57.75 144.73 37.18 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.888 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.539 ' HG3' ' CH2' ' A' ' 38' ' ' TRP . 5.5 mmm180 -140.34 138.28 34.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.876 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 8.6 mmtt -60.77 134.36 57.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.908 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 8.2 tp -75.14 104.46 5.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.901 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 26.4 mm-40 -83.61 138.02 33.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.915 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -51.53 -40.64 60.05 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.87 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 5.3 t-20 -47.88 -50.18 27.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.906 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 11.5 mt . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.937 179.934 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 3.7 mtp . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.717 0.294 . . . . 0.0 110.88 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 5.2 mp -44.19 -48.25 2.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.185 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -50.69 -57.21 8.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.111 179.811 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -56.81 -59.69 4.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.1 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . 0.534 ' CE1' ' OE2' ' A' ' 74' ' ' GLU . 44.0 m-85 -46.37 -51.72 14.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.914 -179.854 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.9 tm-20 -56.72 -50.21 72.87 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.89 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 38.6 m-20 -56.99 -41.67 78.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.938 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 6.4 t -65.71 151.07 47.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.849 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 58.1 mtmt -113.48 146.75 39.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.943 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 43.5 t90 -45.35 146.59 0.94 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.927 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -146.36 146.76 28.72 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-O 121.663 0.744 . . . . 0.0 110.851 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 95.85 0.57 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.661 2.24 . . . . 0.0 112.305 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 5.1 p -132.17 120.6 44.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.121 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 25.3 ttmt -67.29 118.84 11.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.879 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 66.2 m95 -80.92 121.33 25.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.925 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 67.6 mt-10 -102.96 159.18 15.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.881 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 7.1 m120 -64.88 149.76 48.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.883 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 22.3 t0 59.55 52.86 5.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.846 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 32.2 mtp -127.06 161.8 27.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.871 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 60.3 m170 -107.29 145.67 32.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.835 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 24.6 p -166.79 160.69 14.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.945 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -107.76 119.78 40.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.137 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.442 HG22 ' CG1' ' A' ' 65' ' ' VAL . 2.1 p -102.86 146.93 10.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.124 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.553 ' HB3' ' CH2' ' A' ' 38' ' ' TRP . 7.4 pttt -102.92 138.08 40.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.861 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.403 HG21 ' N ' ' A' ' 33' ' ' GLN . 13.7 mt -86.24 144.31 9.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.136 179.865 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.403 ' N ' HG21 ' A' ' 32' ' ' ILE . 9.2 pt20 -83.93 -43.89 14.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.9 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -73.48 -38.24 65.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.879 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 23.7 mmtt -104.42 171.02 7.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.898 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 1.4 p-10 -114.44 23.19 13.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.88 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 54.9 mt-30 -109.33 128.2 54.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.925 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . 0.553 ' CH2' ' HB3' ' A' ' 31' ' ' LYS . 36.5 m95 -79.28 121.07 24.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.888 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 7.1 mmt85 -109.02 160.65 15.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.876 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 52.1 mtm180 -93.96 156.46 16.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.929 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -152.49 152.04 23.79 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.5 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.474 ' O ' ' N ' ' A' ' 44' ' ' ILE . 34.8 tt0 -110.47 118.82 37.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.749 0.309 . . . . 0.0 110.93 -179.873 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 35.5 mm -45.5 91.19 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.175 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.474 ' N ' ' O ' ' A' ' 42' ' ' GLN . 46.4 mt -72.0 -65.64 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.139 179.845 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.445 ' O ' ' CG ' ' A' ' 45' ' ' ARG . 6.0 ptm180 -156.85 121.27 4.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.852 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' MET . . . . . 0.422 ' HE1' ' CG2' ' A' ' 52' ' ' VAL . 23.5 mtp -67.44 110.54 3.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.926 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 47.5 t -74.91 -68.28 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.155 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 14.5 p -125.18 173.92 8.43 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.135 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 32.3 m-20 -64.77 -9.14 18.18 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.912 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 9.4 p -121.12 -24.32 5.57 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.128 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 91.9 mt -109.34 151.88 26.01 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.937 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.422 ' CG2' ' HE1' ' A' ' 46' ' ' MET . 53.4 t -153.92 132.89 3.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.156 179.833 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 -84.31 124.34 31.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.875 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 2.4 m -127.43 160.13 36.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.136 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.439 ' HB2' ' CD1' ' A' ' 44' ' ' ILE . 8.0 tp -116.29 120.25 38.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.919 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.45 ' O ' ' C ' ' A' ' 57' ' ' TYR . 33.1 mt -76.04 48.54 0.5 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.977 179.853 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.45 ' C ' ' O ' ' A' ' 56' ' ' LEU . 43.5 p90 -34.61 -36.0 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.88 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.426 ' N ' ' O ' ' A' ' 56' ' ' LEU . 29.5 t70 -51.59 -52.24 49.03 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.897 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 33.9 m -96.58 -44.78 12.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.156 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 114.4 46.62 0.62 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.485 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 41.1 t -135.27 127.66 47.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.815 0.34 . . . . 0.0 111.099 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -92.45 119.08 31.61 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.871 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -151.24 170.95 18.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.943 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.415 HG23 ' C ' ' A' ' 52' ' ' VAL . 3.8 p -124.82 128.86 73.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.162 179.819 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.442 ' CG1' HG22 ' A' ' 30' ' ' VAL . 17.4 m -121.66 167.9 14.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.161 179.905 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 5.6 t30 -79.39 135.76 36.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.863 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 5.5 m -44.84 -30.59 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.086 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -55.02 -40.37 70.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.871 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 69.3 m -78.15 -34.39 49.79 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.871 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 78.1 mt -59.37 141.48 54.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.893 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.461 ' CZ ' ' HA ' ' A' ' 71' ' ' ARG . 1.4 mmp_? -141.67 144.01 33.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.841 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 33.5 mtpt -64.12 122.12 15.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.924 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 6.6 tp -70.48 97.45 1.3 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.88 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.534 ' OE2' ' CE1' ' A' ' 12' ' ' TYR . 1.2 pm0 -64.94 138.03 58.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.916 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -65.22 -25.57 67.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.907 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -62.25 -55.77 25.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.877 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.492 ' CD1' ' CD ' ' A' ' 74' ' ' GLU . 78.4 mt . . . . . 0 C--N 1.328 -0.366 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.908 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.25 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.4 m 51.94 41.76 29.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.9 0.381 . . . . 0.0 110.878 -179.727 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 49.8 m -103.32 113.96 27.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.832 -179.768 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -179.75 99.85 0.13 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.48 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.7 t -123.92 91.24 3.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.887 0.375 . . . . 0.0 110.859 -179.752 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 34.0 p -86.06 104.08 15.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.882 -179.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -109.38 -51.37 0.67 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.44 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 2.8 mtp -58.19 -75.35 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.751 0.31 . . . . 0.0 110.917 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 4.9 mp -49.85 -42.95 19.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.13 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -56.2 -62.89 1.4 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.118 179.78 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -55.41 -56.17 23.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.088 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.524 ' CE2' HD12 ' A' ' 77' ' ' LEU . 40.9 m-85 -52.13 -64.0 0.96 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.974 -179.896 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -43.6 -59.53 2.15 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.879 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 17.4 m-20 -53.2 -43.51 67.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.881 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.403 ' C ' ' HD2' ' A' ' 16' ' ' LYS . 1.9 m -67.7 169.31 9.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.843 -179.834 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.403 ' HD2' ' C ' ' A' ' 15' ' ' SER . 0.1 OUTLIER -127.31 149.51 50.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.884 179.937 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . 0.564 ' CH2' ' HA ' ' A' ' 19' ' ' PRO . 73.1 t90 -42.31 151.33 0.11 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.906 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -139.93 143.89 36.24 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.642 0.734 . . . . 0.0 110.921 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.564 ' HA ' ' CH2' ' A' ' 17' ' ' TRP . 54.0 Cg_endo -69.72 101.27 0.89 Allowed 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.677 2.251 . . . . 0.0 112.368 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 2.6 p -138.68 140.46 39.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.087 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 20.9 ttmt -81.85 120.03 24.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.908 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . 0.41 ' CZ3' ' HB3' ' A' ' 28' ' ' CYS . 87.9 m95 -85.32 124.76 32.31 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.882 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -107.45 161.86 14.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.938 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 5.6 t-20 -66.58 147.85 52.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.86 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 35.0 t70 60.71 52.4 4.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.868 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 30.8 mtp -126.23 161.44 27.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.883 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 5.6 m170 -110.65 143.5 41.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.849 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.41 ' HB3' ' CZ3' ' A' ' 22' ' ' TRP . 27.9 p -163.19 175.69 10.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.872 -179.9 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -122.07 126.19 47.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.092 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 1.2 p -99.36 146.43 8.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.149 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.557 ' HB2' ' CH2' ' A' ' 38' ' ' TRP . 60.2 tttt -103.29 117.95 35.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.877 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.445 HG23 ' N ' ' A' ' 33' ' ' GLN . 23.9 mt -77.25 151.54 5.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.094 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.445 ' N ' HG23 ' A' ' 32' ' ' ILE . 49.9 mt-30 -89.85 -71.16 0.63 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.897 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -49.55 -28.72 5.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.896 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 53.0 mmtt -111.64 170.16 8.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.973 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -121.14 33.34 5.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.911 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 10.7 tm0? -116.69 134.86 54.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.912 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . 0.557 ' CH2' ' HB2' ' A' ' 31' ' ' LYS . 59.0 m95 -88.04 115.13 25.29 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.945 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 85.6 mtt180 -103.51 151.27 23.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.859 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.402 ' CZ ' HD11 ' A' ' 73' ' ' LEU . 46.6 mtt180 -92.49 140.2 29.81 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.883 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -134.28 162.8 24.61 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.486 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.402 ' O ' ' N ' ' A' ' 44' ' ' ILE . 31.4 tt0 -115.89 117.96 31.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.819 0.342 . . . . 0.0 110.914 -179.865 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 51.2 mm -47.52 94.11 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.162 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.402 ' N ' ' O ' ' A' ' 42' ' ' GLN . 38.6 mt -72.71 -65.77 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.099 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 19.9 ptt180 -159.37 128.08 5.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.837 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 18.1 mtp -68.7 120.55 14.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.889 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 40.5 t -84.63 -61.11 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.149 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 5.3 p -133.89 -177.75 4.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.129 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -69.88 -2.86 13.52 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.863 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 13.5 p -129.92 -31.04 1.97 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.198 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 84.9 mt -96.85 151.79 19.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.902 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.448 HG22 ' CG1' ' A' ' 67' ' ' VAL . 20.3 t -153.74 130.86 2.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.153 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 13.3 tt0 -84.22 123.85 30.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.903 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 2.7 m -128.99 163.15 34.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.117 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 6.4 tp -120.5 126.5 50.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.925 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.434 ' O ' ' N ' ' A' ' 58' ' ' ASP . 35.5 mt -81.94 48.88 1.28 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.893 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.432 ' C ' ' O ' ' A' ' 56' ' ' LEU . 37.2 p90 -36.04 -33.91 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.94 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.434 ' N ' ' O ' ' A' ' 56' ' ' LEU . 10.1 t0 -52.82 -49.26 66.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.871 179.868 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 34.1 m -100.2 -44.41 11.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.09 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 113.97 46.82 0.64 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.488 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 38.9 t -134.41 126.11 48.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.775 0.322 . . . . 0.0 111.167 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -90.59 119.99 31.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.941 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -152.11 176.18 11.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.913 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 3.1 p -132.84 124.94 51.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.118 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 7.2 m -114.02 176.66 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.122 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . 0.412 ' ND2' ' OD1' ' A' ' 68' ' ' ASP . 21.5 t30 -91.43 141.05 29.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.858 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.448 ' CG1' HG22 ' A' ' 52' ' ' VAL . 27.8 m -57.01 -19.35 9.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.125 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.412 ' OD1' ' ND2' ' A' ' 66' ' ' ASN . 3.1 m-20 -66.55 -27.84 68.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.885 179.882 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 4.9 m -98.19 -17.03 19.23 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.897 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 25.8 mt -69.94 151.34 45.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.914 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 22.0 mmm180 -145.78 145.1 30.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.879 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 17.2 mmmt -69.01 135.5 50.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.907 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.402 HD11 ' CZ ' ' A' ' 40' ' ' ARG . 8.0 tp -73.46 99.08 2.9 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.875 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 37.5 mm-40 -65.09 136.47 56.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.914 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -54.69 -52.05 63.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.866 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -44.5 -52.52 7.86 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.89 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.524 HD12 ' CE2' ' A' ' 12' ' ' TYR . 74.5 mt -56.57 -37.12 70.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.917 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 8.7 ttmm -60.47 -42.94 97.27 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.913 179.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 39.7 p -117.84 78.9 1.29 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.132 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 24.2 tpp -91.04 119.97 31.64 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.889 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 103.22 -110.9 3.81 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.521 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 55.3 mtp180 -78.84 115.57 18.61 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.857 0.36 . . . . 0.0 110.887 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -93.07 128.6 39.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.93 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 87.2 p -167.8 116.54 0.77 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.888 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 4.3 mm? . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.897 -179.991 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 92.6 p -146.19 159.64 43.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.895 0.378 . . . . 0.0 110.857 -179.729 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.6 m -58.37 125.31 22.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.877 -179.814 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 156.83 107.15 0.25 Allowed Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.484 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 38.1 m -43.18 108.52 0.11 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.905 0.384 . . . . 0.0 110.849 -179.723 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.4 m -156.03 113.57 3.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.852 -179.81 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -110.56 -63.42 0.51 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.507 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 2.7 mtp -51.86 -75.39 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.785 0.326 . . . . 0.0 110.919 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 4.9 mp -46.6 -45.18 6.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.169 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -52.39 -61.03 2.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.143 179.77 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -59.82 -63.45 1.3 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.076 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 32.4 m-85 -41.99 -48.92 4.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.985 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -61.0 -47.18 87.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.908 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -57.43 -40.84 79.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.922 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 6.4 t -66.09 174.24 2.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.877 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.451 ' N ' ' HD2' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -136.96 152.06 49.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.909 179.925 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . 0.502 ' CD1' ' HA ' ' A' ' 68' ' ' ASP . 67.9 t90 -38.4 150.16 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.921 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -147.73 143.89 18.47 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.652 0.739 . . . . 0.0 110.884 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.406 ' HA ' ' CH2' ' A' ' 17' ' ' TRP . 54.1 Cg_endo -69.74 99.56 0.75 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.701 2.268 . . . . 0.0 112.327 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 6.9 p -136.11 138.44 47.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.145 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 21.2 ttmm -81.17 110.94 17.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.908 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . 0.524 ' CZ3' ' HB3' ' A' ' 28' ' ' CYS . 74.0 m95 -77.62 113.42 15.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.879 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 80.4 mt-10 -99.77 161.19 13.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.858 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 -65.49 148.87 50.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.898 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 6.4 t70 58.12 50.26 10.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.903 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 23.8 mmm -117.91 171.84 7.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.892 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 7.1 m170 -116.17 135.94 53.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.83 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.524 ' HB3' ' CZ3' ' A' ' 22' ' ' TRP . 25.9 p -158.72 162.83 37.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.865 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -113.39 115.15 27.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.101 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.461 ' CG2' HG22 ' A' ' 65' ' ' VAL . 8.7 p -90.17 155.31 3.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.125 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.539 ' HB2' ' CH2' ' A' ' 38' ' ' TRP . 7.7 ttpm? -113.87 123.69 50.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.863 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.436 HG21 ' N ' ' A' ' 33' ' ' GLN . 69.2 mt -72.25 140.33 18.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.142 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.436 ' N ' HG21 ' A' ' 32' ' ' ILE . 4.4 mm100 -79.81 -50.45 10.51 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.877 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -61.11 -51.05 70.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.873 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 4.1 mptp? -95.05 179.11 5.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.901 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 20.5 t-20 -118.69 39.35 3.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.889 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.43 ' CG ' HD13 ' A' ' 32' ' ' ILE . 10.2 pt20 -113.89 -179.01 3.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.888 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . 0.539 ' CH2' ' HB2' ' A' ' 31' ' ' LYS . 71.3 m95 -130.87 115.17 16.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.947 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 21.2 mmt180 -104.24 141.61 35.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.84 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 70.8 mtt180 -76.67 146.83 37.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.896 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -145.0 152.6 24.63 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.474 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.495 ' O ' ' N ' ' A' ' 44' ' ' ILE . 50.3 tt0 -113.81 117.31 31.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.811 0.338 . . . . 0.0 110.938 -179.902 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 40.5 mm -44.63 90.51 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.101 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.495 ' N ' ' O ' ' A' ' 42' ' ' GLN . 41.3 mt -71.08 -65.99 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.102 179.821 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.406 ' O ' ' CG ' ' A' ' 45' ' ' ARG . 23.7 ptt180 -156.84 122.42 4.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.855 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 29.5 mtp -67.46 112.63 4.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.864 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 36.0 t -75.46 -66.22 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.161 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 47.5 p -128.12 -176.21 3.73 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.113 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -71.77 -8.44 54.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.862 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 45.0 p -124.46 -20.82 5.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.123 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 85.9 mt -109.69 150.91 27.59 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.911 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.409 ' C ' HG21 ' A' ' 64' ' ' VAL . 49.0 t -155.49 132.06 2.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.133 179.834 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 9.7 tt0 -84.74 125.28 32.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.925 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 3.6 m -126.85 156.36 38.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.084 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.44 ' HB2' ' CD1' ' A' ' 44' ' ' ILE . 10.0 tp -112.59 120.36 41.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.891 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.456 ' O ' ' C ' ' A' ' 57' ' ' TYR . 40.4 mt -77.11 48.75 0.63 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.907 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.456 ' C ' ' O ' ' A' ' 56' ' ' LEU . 44.3 p90 -34.12 -37.06 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.92 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.44 ' OD1' ' C ' ' A' ' 56' ' ' LEU . 11.3 p-10 -48.99 -55.72 11.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.9 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 34.5 m -95.15 -43.4 12.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.112 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 111.99 52.58 0.53 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.536 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 41.2 t -139.43 125.63 23.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.797 0.332 . . . . 0.0 111.098 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -88.42 120.69 30.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.887 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -151.55 175.6 12.16 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.89 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.409 HG21 ' C ' ' A' ' 52' ' ' VAL . 3.6 p -133.17 130.02 57.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.089 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.461 HG22 ' CG2' ' A' ' 30' ' ' VAL . 6.9 m -121.76 174.67 5.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.074 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . 0.426 ' ND2' ' OD2' ' A' ' 68' ' ' ASP . 3.8 t30 -86.98 137.05 32.68 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.871 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 16.4 m -53.49 -37.15 29.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.098 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.502 ' HA ' ' CD1' ' A' ' 17' ' ' TRP . 0.3 OUTLIER -54.8 -17.96 4.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.873 179.918 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 6.5 m -103.26 -23.25 13.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.869 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 48.9 mt -65.1 162.98 15.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.898 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 23.9 mtp85 -158.44 143.83 16.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.822 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 42.6 mtpt -66.02 126.51 28.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.905 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 3.4 tp -65.3 106.01 1.26 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.861 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -58.16 145.31 37.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.843 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 20.5 pt-20 -69.77 -43.39 72.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.922 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 39.1 m-20 -57.55 -53.1 62.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.886 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 23.7 mt -70.59 -11.59 61.03 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.95 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 39.5 tttt -86.51 -34.78 19.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.923 179.809 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 63.7 p -69.15 -63.2 1.11 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.131 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 12.9 ptp -50.96 173.37 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.897 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 124.25 -35.64 3.16 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.455 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.435 ' O ' ' C ' ' A' ' 83' ' ' LEU . 31.1 mtt-85 48.07 41.52 15.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.836 0.35 . . . . 0.0 110.916 -179.857 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.435 ' C ' ' O ' ' A' ' 82' ' ' ARG . 3.9 mp -34.51 145.8 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.922 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 25.9 p -164.22 115.55 1.3 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.857 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 8.7 mt . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.903 -179.988 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 N-CA-C 112.513 -0.235 . . . . 0.0 112.513 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 91.5 p -91.81 147.07 23.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.899 0.381 . . . . 0.0 110.854 -179.706 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.0 t -77.15 86.7 3.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.891 -179.815 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 135.17 43.01 0.11 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.519 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.4 t -90.33 140.75 29.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.905 0.383 . . . . 0.0 110.829 -179.739 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.437 ' O ' ' N ' ' A' ' 8' ' ' MET . 5.9 m -128.64 47.23 2.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.862 -179.853 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.429 ' C ' ' O ' ' A' ' 6' ' ' SER . . . 35.15 -95.63 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.461 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.437 ' N ' ' O ' ' A' ' 6' ' ' SER . 1.6 mtp -38.15 -75.38 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.768 0.318 . . . . 0.0 110.914 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 4.3 mp -46.72 -41.53 5.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.167 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -54.88 -63.7 1.07 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.089 179.797 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -55.3 -54.86 38.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.109 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 24.7 m-85 -51.37 -44.62 62.16 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.868 -179.815 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -64.88 -55.57 18.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.837 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -53.22 -58.15 8.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.919 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 6.8 t -40.92 157.89 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.878 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 14.9 ptpt -112.29 169.79 8.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.876 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 46.2 t90 -65.77 127.55 32.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.918 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -130.66 141.48 42.11 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.612 0.72 . . . . 0.0 110.93 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.7 101.2 0.87 Allowed 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.711 2.274 . . . . 0.0 112.353 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 3.5 p -131.48 132.05 62.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.122 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -80.11 119.2 22.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.94 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . 0.512 ' CZ3' ' HB3' ' A' ' 28' ' ' CYS . 63.1 m95 -83.79 101.08 11.35 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.887 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -82.79 160.68 22.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.903 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 12.6 m120 -66.65 153.03 44.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.918 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 55.5 m-20 59.22 48.97 9.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.89 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 26.6 mtp -122.05 168.17 12.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.873 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 65.3 m170 -123.84 138.26 54.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.882 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.512 ' HB3' ' CZ3' ' A' ' 22' ' ' TRP . 24.4 p -156.1 166.12 34.39 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.889 -179.911 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -105.6 113.54 27.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.082 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.446 HG21 ' N ' ' A' ' 31' ' ' LYS . 7.4 p -95.5 155.61 3.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.166 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.516 ' HB2' ' CH2' ' A' ' 38' ' ' TRP . 18.4 ttpt -113.68 134.07 54.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.928 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 20.3 mt -85.22 144.5 9.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.151 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -80.03 -61.36 2.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.883 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -58.34 -48.96 78.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.867 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 11.2 mmtp -90.28 173.69 8.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.856 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 7.6 m120 -123.19 40.65 3.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.924 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 39.7 mt-30 -120.14 126.98 52.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.912 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . 0.516 ' CH2' ' HB2' ' A' ' 31' ' ' LYS . 42.0 m95 -82.52 108.62 16.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.948 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -103.43 179.31 4.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.828 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -113.83 160.33 18.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.896 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -150.7 158.73 27.81 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.52 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.441 ' O ' ' N ' ' A' ' 44' ' ' ILE . 46.3 tt0 -108.25 121.35 44.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.791 0.329 . . . . 0.0 110.925 -179.9 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.463 HD13 ' CE3' ' A' ' 22' ' ' TRP . 49.9 mm -51.24 89.08 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.162 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.468 ' CD1' ' HB2' ' A' ' 55' ' ' LEU . 52.9 mt -68.1 -69.58 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.176 179.864 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 9.4 ptp180 -155.05 124.57 6.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.866 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 30.2 mtp -67.15 115.43 6.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.883 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 38.6 t -78.08 -63.65 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.149 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.2 p -131.05 -178.21 4.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.157 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -68.71 -11.54 60.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.883 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 69.4 p -121.14 -28.36 4.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.151 -179.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 77.1 mt -101.81 150.47 23.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.933 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.4 HG21 ' CG1' ' A' ' 67' ' ' VAL . 25.2 t -152.92 132.42 3.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.151 179.846 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -84.24 122.06 28.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.907 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 2.6 m -127.01 157.2 38.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.142 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.468 ' HB2' ' CD1' ' A' ' 44' ' ' ILE . 10.2 tp -116.07 122.53 45.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.938 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.425 ' O ' ' C ' ' A' ' 57' ' ' TYR . 41.0 mt -78.49 49.39 0.86 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.924 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.425 ' C ' ' O ' ' A' ' 56' ' ' LEU . 40.4 p90 -35.96 -36.46 0.09 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.932 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -49.68 -49.83 45.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.908 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 34.0 m -99.63 -44.98 11.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.095 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 114.04 49.99 0.52 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.466 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 42.1 t -137.31 125.11 31.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.808 0.337 . . . . 0.0 111.102 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -89.35 120.3 30.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.825 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -153.41 175.18 13.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.884 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 3.2 p -132.72 127.07 55.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.126 179.831 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 10.7 m -117.44 170.16 7.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.128 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 31.5 t30 -84.7 131.28 34.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.946 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.4 ' CG1' HG21 ' A' ' 52' ' ' VAL . 25.7 m -46.73 -20.97 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.138 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -61.22 -38.76 87.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.878 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 4.1 m -87.35 -16.58 34.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.901 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.457 ' HB3' ' CZ2' ' A' ' 22' ' ' TRP . 19.4 mt -69.54 139.23 53.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.905 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 12.5 mmp_? -135.71 143.3 45.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.869 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 15.3 mtmm -69.1 124.12 22.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.906 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 7.4 tp -62.45 93.47 0.05 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.913 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -56.68 141.18 44.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.862 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 21.0 tt0 -68.01 -46.56 70.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.897 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -54.04 -36.21 62.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.886 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 96.8 mt -79.66 -32.46 41.56 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.966 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 16.2 tttm -60.2 -42.12 94.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.896 179.82 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 2.8 t -131.17 86.68 2.39 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.135 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 23.0 ptp -97.89 -43.92 6.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.877 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -116.84 -102.79 2.27 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.494 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 15.4 ttm180 -111.02 137.89 48.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.839 0.352 . . . . 0.0 110.868 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -125.43 155.44 40.43 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.921 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 98.9 p -108.62 44.97 1.07 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.839 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 36.0 tp . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.894 -179.978 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.273 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.7 m -67.63 142.25 56.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.862 0.363 . . . . 0.0 110.887 -179.778 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.2 m -135.64 127.86 30.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.831 -179.763 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 175.61 130.28 1.3 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.473 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.1 m -127.6 119.34 25.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.855 0.36 . . . . 0.0 110.826 -179.722 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.1 m -84.67 83.52 7.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.914 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -103.71 -58.2 0.73 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.462 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 3.0 mtp -46.1 -75.51 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.765 0.317 . . . . 0.0 110.84 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 5.3 mp -42.93 -45.17 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.185 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -53.84 -59.42 4.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.098 179.765 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -56.96 -58.52 7.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.106 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.438 ' HB3' ' CE2' ' A' ' 38' ' ' TRP . 37.8 m-85 -49.79 -62.95 1.27 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.896 -179.815 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -47.08 -43.96 20.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.896 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 28.2 m-20 -68.47 -23.9 64.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.846 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.1 m -79.01 -179.05 6.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.849 -179.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.411 ' HA ' ' NZ ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -141.22 159.51 42.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.925 179.955 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . 0.415 ' CH2' ' HA ' ' A' ' 19' ' ' PRO . 44.9 t90 -56.74 138.63 52.66 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.94 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -135.03 144.22 49.33 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.643 0.735 . . . . 0.0 110.863 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.415 ' HA ' ' CH2' ' A' ' 17' ' ' TRP . 54.0 Cg_endo -69.73 90.97 0.51 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.72 2.28 . . . . 0.0 112.36 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 7.4 p -122.16 138.56 51.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.142 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.1 ttmp? -86.53 109.26 18.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.91 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . 0.424 ' CZ3' ' HB3' ' A' ' 28' ' ' CYS . 50.2 m95 -72.32 102.63 3.17 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.886 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.462 ' O ' ' CG2' ' A' ' 43' ' ' ILE . 18.3 mt-10 -86.95 177.66 7.18 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.923 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 29.3 m120 -79.69 147.47 31.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.918 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 38.6 t70 57.98 49.69 11.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.885 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 31.4 mtp -122.72 162.2 22.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.903 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 16.1 m170 -112.13 132.7 54.71 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.885 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.424 ' HB3' ' CZ3' ' A' ' 22' ' ' TRP . 24.4 p -149.41 165.74 31.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.873 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -105.4 132.85 51.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.124 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 1.8 p -107.12 130.09 59.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.106 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 13.8 tttm -101.44 126.86 48.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.864 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.406 HG21 ' N ' ' A' ' 33' ' ' GLN . 13.6 mt -82.59 151.64 4.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.094 179.883 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.406 ' N ' HG21 ' A' ' 32' ' ' ILE . 21.9 pt20 -96.39 -52.76 3.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.917 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -57.56 -17.96 16.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.841 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 21.3 mmmt -127.77 -177.98 4.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.914 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 59.0 t30 -123.99 36.87 4.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.84 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 43.3 mt-30 -117.65 151.37 37.35 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.924 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . 0.438 ' CE2' ' HB3' ' A' ' 12' ' ' TYR . 29.3 m95 -103.82 127.79 51.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.896 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 54.6 mtm180 -115.66 175.49 5.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.859 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 61.3 mtm180 -123.65 153.92 40.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.865 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -152.82 157.67 27.43 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.46 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.408 ' O ' ' N ' ' A' ' 44' ' ' ILE . 57.9 tt0 -108.94 114.42 28.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.78 0.324 . . . . 0.0 110.924 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.462 ' CG2' ' O ' ' A' ' 23' ' ' GLU . 50.1 mm -41.33 96.47 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.16 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.422 ' CD1' ' HB2' ' A' ' 55' ' ' LEU . 53.3 mt -74.83 -67.65 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.119 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 8.0 ptm180 -155.72 125.55 6.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.858 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 16.4 mtp -69.09 115.89 8.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.837 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 45.9 t -80.38 -72.42 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.139 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 78.2 p -119.82 -177.37 3.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.169 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -71.4 -7.06 44.83 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.826 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 46.3 p -125.01 -27.85 3.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.089 -179.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 30.7 mt -101.4 152.22 20.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.895 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.41 HG21 ' CG1' ' A' ' 67' ' ' VAL . 20.2 t -154.08 133.01 3.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.097 179.844 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 9.1 tt0 -84.32 123.71 30.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.888 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 2.0 m -127.88 159.71 38.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.158 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.422 ' HB2' ' CD1' ' A' ' 44' ' ' ILE . 6.8 tp -116.46 120.68 39.55 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.861 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.408 ' O ' ' N ' ' A' ' 58' ' ' ASP . 37.0 mt -75.92 51.0 0.62 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.921 179.856 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 30.8 p90 -38.38 -31.12 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.871 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.408 ' N ' ' O ' ' A' ' 56' ' ' LEU . 8.6 p-10 -55.03 -48.01 73.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.852 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 27.7 m -102.99 -45.1 10.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.181 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 115.65 48.79 0.49 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.493 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 39.2 t -136.58 124.7 34.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.786 0.327 . . . . 0.0 111.152 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 51.3 mt-10 -89.22 120.62 30.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.864 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -151.95 174.4 13.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.922 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 3.7 p -130.62 127.67 62.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.126 179.805 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 4.1 m -119.65 172.21 7.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.108 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 14.3 t30 -86.5 131.7 34.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.93 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.41 ' CG1' HG21 ' A' ' 52' ' ' VAL . 19.6 m -45.92 -25.77 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.154 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -57.86 -39.94 78.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.852 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 3.5 m -82.98 -29.08 29.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.872 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 71.7 mt -61.8 145.23 53.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.871 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 7.8 tpp180 -136.54 148.84 47.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.858 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 12.7 mtpt -68.0 137.22 54.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.926 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 3.0 tp -85.23 97.96 10.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.928 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.453 ' CG ' HD12 ' A' ' 77' ' ' LEU . 8.2 pt-20 -60.62 156.26 17.0 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.925 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 -72.67 -39.18 67.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.896 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -51.16 -36.66 42.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.903 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.453 HD12 ' CG ' ' A' ' 74' ' ' GLU . 92.2 mt -90.93 -7.33 52.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.875 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 20.5 ttpt -82.51 -49.72 9.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.886 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 1.1 t -56.72 -14.6 3.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.172 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 1.9 ptm -129.21 112.71 14.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.849 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 101.43 92.98 2.17 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.489 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 44.0 ptt85 -139.19 167.01 23.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.847 0.356 . . . . 0.0 110.864 -179.837 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -49.74 109.23 0.26 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.916 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 27.7 t -155.1 113.34 3.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.891 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 36.9 tp . . . . . 0 C--N 1.328 -0.352 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.938 180.0 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.361 0 N-CA-C 112.507 -0.237 . . . . 0.0 112.507 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.9 m -62.25 -50.24 72.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.886 0.374 . . . . 0.0 110.901 -179.777 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.2 t -85.69 108.55 18.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.879 -179.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 101.17 123.51 5.2 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.475 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.0 t -41.67 97.6 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.871 0.367 . . . . 0.0 110.884 -179.785 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 72.4 m -108.01 103.09 12.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.864 -179.803 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -105.46 -58.53 0.65 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.504 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.9 mtp -53.2 -75.39 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.796 0.331 . . . . 0.0 110.882 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 4.9 mp -43.68 -56.92 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.14 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.436 ' O ' ' CB ' ' A' ' 14' ' ' ASN . . . -46.07 -51.67 13.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.063 179.821 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -57.35 -60.26 3.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.146 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.474 ' CZ ' HD11 ' A' ' 77' ' ' LEU . 25.2 m-85 -53.22 -66.15 0.44 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.891 -179.88 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -49.22 -33.12 11.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.864 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . 0.436 ' CB ' ' O ' ' A' ' 10' ' ' ALA . 6.5 t-20 -72.17 -36.22 69.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.845 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.4 t -80.59 176.5 9.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 27.1 mtmt -121.04 173.17 7.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.917 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . 0.545 ' CH2' ' HA ' ' A' ' 19' ' ' PRO . 89.4 t90 -60.36 157.41 13.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.854 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.419 ' CD ' ' HD2' ' A' ' 19' ' ' PRO . 7.8 tp10 -147.96 137.64 12.29 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.657 0.742 . . . . 0.0 110.923 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.545 ' HA ' ' CH2' ' A' ' 17' ' ' TRP . 53.9 Cg_endo -69.76 92.38 0.51 Allowed 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.683 2.255 . . . . 0.0 112.328 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 2.5 p -129.76 126.49 62.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.135 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 9.9 tptp -73.25 112.79 9.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.871 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 58.0 m95 -75.43 117.71 17.51 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.906 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 66.5 mt-10 -108.04 151.42 25.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.869 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -56.64 161.22 2.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.907 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 26.6 t0 53.71 49.78 18.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.885 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 33.9 mtp -127.51 165.41 19.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.886 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 7.7 m170 -120.27 132.9 55.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.862 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 6.1 p -151.35 168.3 25.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.895 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -109.14 116.84 32.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.143 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.448 HG21 ' CG1' ' A' ' 65' ' ' VAL . 4.4 p -95.28 148.75 4.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.141 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.425 ' HB2' ' CH2' ' A' ' 38' ' ' TRP . 31.8 ttpt -106.33 130.1 54.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.872 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 41.0 mt -93.92 136.95 23.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.141 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 11.9 mm100 -75.74 -67.28 0.68 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.927 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 36.0 m-20 -45.33 -44.63 11.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.85 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 2.5 mppt? -97.1 173.21 7.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.857 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 14.1 t30 -122.12 31.6 6.13 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.864 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 4.8 pt20 -120.23 135.96 54.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.932 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . 0.425 ' CH2' ' HB2' ' A' ' 31' ' ' LYS . 25.0 m95 -87.52 118.84 27.26 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.903 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 22.4 mtm180 -107.52 165.76 11.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.902 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 56.9 mtm180 -105.52 151.71 23.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.848 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -147.88 160.08 28.22 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.479 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 34.1 tt0 -110.32 123.26 49.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.787 0.327 . . . . 0.0 110.923 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 45.0 mm -52.05 94.1 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.084 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 46.5 mt -72.15 -68.13 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.115 179.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 17.1 ptt180 -155.42 125.83 6.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.85 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 47.3 mtp -68.78 119.83 13.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.885 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 57.6 t -82.72 -65.43 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.132 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 73.2 p -126.89 -179.16 4.69 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.143 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 33.8 m-20 -70.05 -4.2 19.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.877 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 45.3 p -127.99 -28.22 2.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.144 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 42.1 mt -101.99 153.0 20.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.956 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 29.3 t -156.17 131.8 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.15 179.807 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 11.6 tt0 -84.33 124.1 30.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.842 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 2.0 m -125.21 166.49 20.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.126 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 9.3 tp -122.25 119.21 30.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.904 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.447 ' O ' ' N ' ' A' ' 58' ' ' ASP . 27.1 mt -75.86 48.74 0.49 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.91 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.441 ' C ' ' O ' ' A' ' 56' ' ' LEU . 41.6 p90 -35.15 -34.25 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.91 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.447 ' N ' ' O ' ' A' ' 56' ' ' LEU . 16.0 t70 -51.1 -50.07 59.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.86 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 34.1 m -101.17 -41.71 8.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.123 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 111.18 49.65 0.66 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.483 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 38.7 t -136.56 125.49 36.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.778 0.323 . . . . 0.0 111.109 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -87.77 121.27 29.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.902 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -151.58 176.55 11.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.897 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 3.2 p -134.69 123.3 41.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.126 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.448 ' CG1' HG21 ' A' ' 30' ' ' VAL . 5.6 m -115.48 171.24 4.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.109 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 21.4 t30 -82.94 137.04 34.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.884 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 30.1 m -53.4 -36.24 26.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.149 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.478 ' OD1' ' N ' ' A' ' 69' ' ' CYS . 0.6 OUTLIER -54.89 -26.49 36.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.834 179.969 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . 0.478 ' N ' ' OD1' ' A' ' 68' ' ' ASP . 3.1 m -93.68 -21.43 19.36 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.91 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 74.2 mt -70.98 151.84 44.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.936 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 12.4 mmm180 -145.06 145.5 31.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.925 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 7.4 mtpm? -66.42 140.2 58.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.899 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 6.6 tp -83.86 110.35 18.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.898 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -68.19 155.65 39.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.884 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -53.45 -50.56 65.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.898 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 12.4 t-20 -69.97 -45.7 66.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.886 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.474 HD11 ' CZ ' ' A' ' 12' ' ' TYR . 74.6 mt -56.96 -32.4 65.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.963 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.461 ' HG3' ' N ' ' A' ' 79' ' ' THR . 0.0 OUTLIER -82.93 -30.41 28.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.887 179.796 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' THR . . . . . 0.461 ' N ' ' HG3' ' A' ' 78' ' ' LYS . 21.7 p -126.65 73.89 1.43 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.127 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 17.8 ttp -134.64 141.4 46.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.89 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 49.51 -137.94 19.37 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.532 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 11.5 mmm180 -111.11 162.03 15.33 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.83 0.348 . . . . 0.0 110.881 -179.836 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 5.6 mp -89.36 133.53 34.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.9 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 60.5 p -88.94 41.68 1.04 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.873 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 25.6 tp . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.913 179.996 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.372 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 72.2 m -153.71 175.25 13.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.899 0.381 . . . . 0.0 110.859 -179.748 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 60.6 p -52.61 -42.97 65.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.882 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 118.25 82.05 0.82 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.48 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 87.6 p -76.0 123.51 25.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.873 0.368 . . . . 0.0 110.869 -179.763 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.491 ' O ' ' CB ' ' A' ' 10' ' ' ALA . 53.6 p -104.45 82.69 1.95 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.884 -179.852 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -56.36 -53.89 39.88 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.488 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 5.8 mtp -49.85 -75.38 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.722 0.296 . . . . 0.0 110.88 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 4.6 mp -48.95 -41.96 13.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.173 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.491 ' CB ' ' O ' ' A' ' 6' ' ' SER . . . -50.29 -57.94 6.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.063 179.826 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.6 -55.09 30.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.082 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.412 ' CD1' ' HD3' ' A' ' 71' ' ' ARG . 26.0 m-85 -50.55 -32.47 18.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.959 -179.863 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -76.98 -51.92 10.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.861 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -60.33 -57.43 12.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.903 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.7 t -47.18 174.93 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.851 -179.822 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.58 156.78 41.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.91 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . 0.554 ' CD1' ' HA ' ' A' ' 68' ' ' ASP . 73.6 t90 -55.39 135.93 49.87 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.953 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.423 ' CD ' ' HD2' ' A' ' 19' ' ' PRO . 5.1 tp10 -128.58 139.47 35.67 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.642 0.734 . . . . 0.0 110.918 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.423 ' HD2' ' CD ' ' A' ' 18' ' ' GLU . 52.9 Cg_endo -69.83 99.21 0.74 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.651 2.234 . . . . 0.0 112.322 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 1.5 p -129.5 135.56 61.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.147 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 14.5 tppt? -73.98 116.55 14.74 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.897 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . 0.433 ' CZ3' ' HB3' ' A' ' 28' ' ' CYS . 83.4 m95 -83.31 125.1 31.26 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.899 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -113.51 152.98 29.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.891 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 12.0 m120 -62.54 144.76 55.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.938 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 71.07 43.53 0.65 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.846 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 37.9 mtp -123.2 160.26 26.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.871 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 5.1 m170 -105.73 138.06 42.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.855 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.433 ' HB3' ' CZ3' ' A' ' 22' ' ' TRP . 31.4 p -157.67 164.35 37.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.869 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -113.81 116.56 29.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.079 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 2.2 p -92.73 144.78 8.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.143 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.567 ' HB2' ' CH2' ' A' ' 38' ' ' TRP . 24.2 ttpt -102.12 117.45 34.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.933 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 16.4 mt -69.06 139.12 20.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.125 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 10.5 mm-40 -73.39 -75.28 0.15 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.927 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -51.91 -52.44 49.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.885 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -70.39 160.18 32.79 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.899 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 24.7 m-20 -113.38 36.11 3.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.864 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.449 ' CD ' ' N ' ' A' ' 38' ' ' TRP . 0.0 OUTLIER -123.91 -174.95 3.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.942 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . 0.567 ' CH2' ' HB2' ' A' ' 31' ' ' LYS . 40.2 m95 -130.07 119.6 23.34 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.97 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 65.1 mtt180 -109.08 155.76 20.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.908 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 1.1 mpp_? -99.83 146.4 26.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.887 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -142.25 164.87 26.82 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.512 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 39.8 tt0 -116.14 122.22 44.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.845 0.355 . . . . 0.0 110.881 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 38.0 mm -49.53 95.4 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.143 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.431 ' CD1' ' HB2' ' A' ' 55' ' ' LEU . 47.6 mt -74.2 -65.79 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.128 179.868 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.437 ' CG ' ' O ' ' A' ' 45' ' ' ARG . 21.2 ptt180 -157.8 121.57 4.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.899 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 28.4 mtp -65.3 116.98 7.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.905 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 42.0 t -78.44 -62.85 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.176 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 24.3 p -134.47 -176.36 4.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.12 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -73.54 0.19 13.3 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.903 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 76.9 p -128.48 -28.86 2.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.176 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 21.4 mt -107.87 158.13 17.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.937 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.463 HG21 ' CG1' ' A' ' 67' ' ' VAL . 19.9 t -158.37 133.27 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.15 179.842 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -84.29 123.55 30.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.93 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 2.8 m -124.67 163.23 25.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.12 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.431 ' HB2' ' CD1' ' A' ' 44' ' ' ILE . 9.4 tp -119.54 121.51 39.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.865 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.42 ' O ' ' N ' ' A' ' 58' ' ' ASP . 59.1 mt -77.96 51.7 0.99 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.938 179.864 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 44.0 p90 -38.18 -30.57 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.888 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.42 ' N ' ' O ' ' A' ' 56' ' ' LEU . 5.1 m-20 -54.91 -47.65 74.08 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.904 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 35.0 m -104.91 -43.96 8.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.121 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 113.35 51.51 0.5 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.5 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 39.9 t -137.32 126.51 35.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.815 0.34 . . . . 0.0 111.138 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -88.25 121.25 30.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.909 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.423 ' N ' HD21 ' A' ' 63' ' ' LEU . 0.8 OUTLIER -152.62 175.03 13.23 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.912 -179.952 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 2.8 p -132.61 130.36 59.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.156 179.822 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 9.5 m -121.55 170.84 11.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.11 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 3.4 t30 -80.53 136.29 36.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.917 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.463 ' CG1' HG21 ' A' ' 52' ' ' VAL . 6.7 m -54.22 -39.43 42.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.093 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.554 ' HA ' ' CD1' ' A' ' 17' ' ' TRP . 0.7 OUTLIER -52.65 -21.14 3.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.848 179.955 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . 0.491 ' N ' ' OD1' ' A' ' 68' ' ' ASP . 18.8 m -96.81 -31.56 12.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.852 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 64.8 mt -57.78 160.41 4.55 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.904 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.412 ' HD3' ' CD1' ' A' ' 12' ' ' TYR . 8.1 mtp85 -151.9 143.86 23.79 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.837 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 14.1 mmmt -69.11 130.63 43.26 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.856 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 1.8 tp -82.78 118.45 23.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.91 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 44.7 mm-40 -92.19 151.12 20.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.872 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.45 ' HG3' ' N ' ' A' ' 76' ' ' ASN . 12.9 pt-20 -70.06 -48.38 58.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.928 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . 0.45 ' N ' ' HG3' ' A' ' 75' ' ' GLU . 1.2 p-10 -50.87 -36.48 38.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.929 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 35.3 mt -86.0 -19.62 30.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.911 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 12.4 ttpt -66.47 -47.32 73.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.93 179.813 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 10.0 t -57.46 -42.25 82.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.142 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 3.4 mpp? -66.3 112.13 3.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.873 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 118.38 -124.32 6.02 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.443 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 27.9 ttt180 -79.31 156.75 27.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.826 0.346 . . . . 0.0 110.866 -179.828 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 40.5 mt -117.43 150.41 38.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.965 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 2.5 m -119.53 95.34 4.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.871 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.935 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 80.4 p -138.89 150.73 46.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.862 0.363 . . . . 0.0 110.893 -179.726 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 50.8 m -107.27 131.2 54.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.853 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -143.97 155.63 26.3 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.489 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 83.2 p -48.97 131.95 18.75 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.872 0.368 . . . . 0.0 110.892 -179.748 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 68.9 m -118.26 106.21 12.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.858 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -111.52 -49.89 0.63 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.465 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.9 mtp -58.97 -75.44 0.05 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.776 0.322 . . . . 0.0 110.858 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 5.1 mp -47.08 -42.3 6.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.112 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.71 -63.56 1.25 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.078 179.826 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -49.95 -54.43 19.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.106 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.432 ' O ' ' C ' ' A' ' 13' ' ' GLU . 49.7 m-85 -57.48 -69.68 0.16 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.891 -179.839 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.432 ' C ' ' O ' ' A' ' 12' ' ' TYR . 21.0 tt0 -35.51 -51.71 0.63 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.903 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 11.9 m-20 -63.22 -46.02 88.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.857 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 22.3 t -62.8 142.97 57.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.833 -179.828 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 6.8 mtmp? -92.4 179.2 5.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.901 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . 0.435 ' CD1' ' HA ' ' A' ' 68' ' ' ASP . 89.9 t90 -71.3 161.05 31.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.905 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.421 ' CD ' ' HD2' ' A' ' 19' ' ' PRO . 25.6 tp10 -150.19 137.28 11.38 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.608 0.718 . . . . 0.0 110.874 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.421 ' HD2' ' CD ' ' A' ' 18' ' ' GLU . 53.3 Cg_endo -69.8 98.99 0.72 Allowed 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.734 2.289 . . . . 0.0 112.325 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.42 HG23 ' N ' ' A' ' 21' ' ' LYS . 2.3 p -134.1 143.19 39.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.167 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.42 ' N ' HG23 ' A' ' 20' ' ' VAL . 13.6 ttpp -85.86 115.74 23.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.922 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 67.5 m95 -80.65 120.68 24.89 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.899 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -101.67 167.53 10.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.873 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 5.2 t-20 -74.51 148.21 41.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.909 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 71.2 m-20 62.26 45.66 6.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.863 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 29.8 mtp -118.75 162.88 17.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.868 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 6.6 m170 -112.25 142.98 44.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.872 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 14.4 p -163.61 172.11 14.79 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.902 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -115.28 120.27 39.11 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.116 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.416 HG23 ' N ' ' A' ' 31' ' ' LYS . 5.6 p -98.83 151.04 4.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.082 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.416 ' N ' HG23 ' A' ' 30' ' ' VAL . 20.7 ttpt -106.55 119.06 38.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.916 179.877 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 31.1 mt -69.93 142.98 15.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.142 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 43.5 mt-30 -76.3 -73.67 0.27 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.882 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 72.1 m-20 -46.66 -49.97 18.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.901 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 12.5 mmmt -87.46 -177.85 6.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.878 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 66.5 m-80 -130.15 31.03 4.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.883 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 8.6 tp60 -111.93 149.91 31.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.937 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . 0.471 ' CH2' ' HG3' ' A' ' 71' ' ' ARG . 65.4 m95 -97.77 121.17 39.36 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.911 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 14.8 mmt-85 -111.03 154.75 23.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.859 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 38.4 mtm180 -90.65 136.24 33.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.866 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -133.55 159.77 23.77 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.526 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.462 ' O ' ' N ' ' A' ' 44' ' ' ILE . 50.9 tt0 -117.16 119.79 36.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.82 0.343 . . . . 0.0 110.911 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 45.0 mm -46.75 91.1 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.175 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.462 ' N ' ' O ' ' A' ' 42' ' ' GLN . 41.1 mt -70.39 -65.34 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.164 179.881 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 6.0 ptm180 -157.58 124.77 5.13 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.849 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 32.1 mtp -68.87 114.49 7.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.846 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 58.4 t -79.56 -68.07 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.094 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 73.8 p -122.11 -179.29 4.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.141 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -71.26 -5.33 31.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.898 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 63.3 p -126.5 -27.02 3.2 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.112 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 43.0 mt -103.38 153.62 20.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.962 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.426 HG11 ' N ' ' A' ' 53' ' ' GLU . 73.6 t -155.97 134.0 2.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.126 179.851 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.426 ' N ' HG11 ' A' ' 52' ' ' VAL . 18.1 tt0 -84.55 125.58 32.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.919 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 2.6 m -126.88 158.76 37.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.154 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.45 ' HB2' ' CD1' ' A' ' 44' ' ' ILE . 8.3 tp -116.1 118.7 33.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.931 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.435 ' O ' ' C ' ' A' ' 57' ' ' TYR . 36.7 mt -76.78 47.66 0.52 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.92 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.503 ' CD1' ' N ' ' A' ' 58' ' ' ASP . 25.7 p90 -35.0 -37.82 0.07 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.959 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.503 ' N ' ' CD1' ' A' ' 57' ' ' TYR . 20.1 t0 -48.43 -50.16 32.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.899 179.863 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 34.4 m -98.88 -44.38 11.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.087 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 113.44 49.95 0.54 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.737 -0.745 . . . . 0.0 112.465 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 42.7 t -138.39 125.89 28.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.786 0.327 . . . . 0.0 111.135 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 -90.42 119.35 30.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.897 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -151.48 175.23 12.5 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.867 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 3.4 p -131.79 129.44 61.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.133 179.812 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.412 ' CG1' HG22 ' A' ' 30' ' ' VAL . 4.3 m -121.39 172.12 8.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.139 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 24.5 t30 -83.22 136.43 34.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.892 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 31.2 m -53.07 -36.69 25.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.156 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.435 ' HA ' ' CD1' ' A' ' 17' ' ' TRP . 0.5 OUTLIER -57.05 -21.37 30.81 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.858 179.922 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 1.8 m -96.14 -23.27 16.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.867 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 80.5 mt -68.45 152.67 45.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.966 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.471 ' HG3' ' CH2' ' A' ' 38' ' ' TRP . 8.4 mmp_? -140.65 143.7 35.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.863 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 16.5 mtpp -69.07 127.56 33.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.882 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 3.8 tp -75.06 100.56 4.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.905 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -57.43 -175.51 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.856 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -95.68 -36.94 11.02 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.903 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 17.1 t-20 -62.93 -48.21 79.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.872 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 15.7 mt -77.14 -11.21 59.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.921 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 18.4 tttt -81.43 -39.46 24.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.881 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 13.8 t -90.48 2.9 55.26 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.111 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 33.1 mtm -102.55 69.17 1.08 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.883 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 168.68 -125.61 1.3 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.448 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 7.2 mpt_? -133.6 157.97 44.38 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.855 0.359 . . . . 0.0 110.843 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 2.1 pp -168.76 155.88 7.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.894 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 85.2 p -114.17 81.64 1.57 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.87 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 14.1 tp . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.9 -179.98 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 N-CA-C 112.484 -0.246 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.4 m -80.8 -59.47 2.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.881 0.372 . . . . 0.0 110.891 -179.776 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 27.5 m -49.62 168.25 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.867 -179.826 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -177.54 135.35 2.72 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.461 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.6 t -86.44 41.33 0.93 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.82 0.343 . . . . 0.0 110.861 -179.737 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 21.3 m -130.82 116.21 17.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.862 -179.811 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -109.0 -57.18 0.54 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.519 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.9 mtp -56.25 -74.95 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.77 0.319 . . . . 0.0 110.848 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 5.3 mp -46.84 -49.57 6.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.156 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -52.86 -51.73 59.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.141 179.76 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.29 -60.11 4.04 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.096 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 21.0 m-85 -48.01 -47.51 33.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.957 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.15 -53.35 59.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.877 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -55.12 -59.52 4.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.898 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.4 t -48.03 153.44 0.66 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.837 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -110.1 150.12 29.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.897 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 91.5 t90 -41.17 150.12 0.09 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.921 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.416 ' CD ' ' HD2' ' A' ' 19' ' ' PRO . 35.4 tp10 -145.16 137.39 13.29 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.64 0.733 . . . . 0.0 110.869 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.416 ' HD2' ' CD ' ' A' ' 18' ' ' GLU . 53.6 Cg_endo -69.76 93.79 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.665 2.243 . . . . 0.0 112.32 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 5.6 p -126.67 134.52 66.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.151 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 30.7 ttmt -79.42 111.27 15.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.889 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . 0.529 ' CZ2' ' HB3' ' A' ' 70' ' ' LEU . 80.4 m95 -74.29 122.77 23.39 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.891 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -106.33 151.8 24.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.91 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 30.2 m120 -61.03 143.24 55.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.822 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 26.7 t0 70.96 48.15 0.4 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.864 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 25.9 mtp -128.14 167.72 16.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.903 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 29.2 m170 -117.88 146.71 43.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.866 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.469 ' HB3' ' CZ3' ' A' ' 22' ' ' TRP . 9.0 p -163.17 163.2 25.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.873 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -107.45 124.57 50.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.086 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.445 HG21 ' N ' ' A' ' 31' ' ' LYS . 6.6 p -111.09 138.99 37.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.111 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.514 ' HB2' ' CH2' ' A' ' 38' ' ' TRP . 23.9 ttpt -88.48 117.54 27.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.89 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 79.2 mt -73.15 136.41 25.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.167 179.823 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 14.8 pt20 -79.71 -45.2 19.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.924 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -59.01 -52.04 67.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.877 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.1 mptp? -98.16 -176.78 3.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.92 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 5.5 m-80 -120.06 36.44 4.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.86 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 16.0 mm100 -117.34 178.91 4.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.963 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . 0.514 ' CH2' ' HB2' ' A' ' 31' ' ' LYS . 52.3 m95 -124.28 110.65 14.87 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.888 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 4.4 mmt85 -107.57 138.33 43.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.869 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.418 ' NH1' ' HB3' ' A' ' 58' ' ' ASP . 4.8 ptt85 -92.99 145.4 24.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.855 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -134.87 172.67 21.89 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.484 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 43.6 tt0 -108.81 122.28 46.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.75 0.31 . . . . 0.0 110.929 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 47.9 mm -50.28 94.49 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.103 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.435 ' CD1' ' HB2' ' A' ' 55' ' ' LEU . 53.3 mt -70.89 -66.47 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.137 179.856 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 3.8 ptm180 -157.24 131.05 8.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.896 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 16.9 mtp -73.54 110.85 8.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.852 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 30.8 t -74.07 -65.9 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.138 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.2 p -128.62 -176.23 3.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.175 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -72.82 -2.09 19.25 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.895 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 17.0 p -128.68 -29.31 2.39 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.127 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 88.2 mt -101.47 153.35 19.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.915 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.445 HG21 ' CG1' ' A' ' 67' ' ' VAL . 20.3 t -154.87 132.09 2.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.127 179.782 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.416 ' O ' ' N ' ' A' ' 44' ' ' ILE . 12.9 tt0 -84.27 123.98 30.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.882 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 2.1 m -126.19 157.48 36.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.171 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.435 ' HB2' ' CD1' ' A' ' 44' ' ' ILE . 11.0 tp -116.01 123.09 47.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.906 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.49 ' O ' ' N ' ' A' ' 58' ' ' ASP . 23.8 mt -81.63 44.41 0.81 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.915 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.436 ' C ' ' O ' ' A' ' 56' ' ' LEU . 42.1 p90 -33.9 -33.82 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.932 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.49 ' N ' ' O ' ' A' ' 56' ' ' LEU . 5.2 p-10 -50.93 -54.85 20.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.869 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 26.8 m -95.65 -37.54 7.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.13 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 108.05 53.33 0.66 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.495 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 42.8 t -141.86 126.24 16.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.773 0.32 . . . . 0.0 111.142 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -91.75 118.82 31.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.885 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -150.47 175.88 11.46 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.921 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 3.5 p -133.17 128.97 56.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.182 179.804 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.427 ' CG1' HG23 ' A' ' 30' ' ' VAL . 5.3 m -118.96 170.96 7.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.09 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 18.6 t30 -85.56 134.05 34.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.904 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.445 ' CG1' HG21 ' A' ' 52' ' ' VAL . 33.8 m -51.22 -19.11 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.153 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -62.48 -31.21 71.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.882 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 45.9 m -95.63 -19.51 19.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.894 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.529 ' HB3' ' CZ2' ' A' ' 22' ' ' TRP . 26.9 mt -61.82 145.09 53.69 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.921 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 2.2 mmp_? -139.9 146.86 39.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.89 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 28.3 mtmm -71.77 112.58 7.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.925 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 2.4 tp -64.03 94.67 0.11 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.952 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -59.79 163.24 4.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.881 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -72.76 -47.37 47.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.829 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 16.1 m-80 -57.22 -56.77 17.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.873 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 55.8 mt -53.79 -35.95 61.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.922 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 31.2 tttp -62.64 -49.49 74.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.944 179.807 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 77.8 p -115.98 82.33 1.75 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.133 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 8.1 ptp -120.15 178.28 4.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.868 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 59.24 -143.47 46.01 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.499 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 7.3 ptt180 -63.97 149.14 47.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.891 0.377 . . . . 0.0 110.877 -179.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 2.4 pt? -49.02 -28.95 4.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.902 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 19.8 m -116.59 76.53 1.03 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.826 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.959 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.3 t -172.73 140.37 0.98 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.852 0.358 . . . . 0.0 110.871 -179.743 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 46.2 p -138.81 153.91 48.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.855 -179.796 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 157.86 105.99 0.23 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.528 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.5 t -60.66 106.08 0.52 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.828 0.347 . . . . 0.0 110.844 -179.694 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.7 m -147.61 118.41 7.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.861 -179.815 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -111.64 -62.91 0.48 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.468 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.42 ' HA ' ' CD2' ' A' ' 77' ' ' LEU . 2.1 mtp -53.53 -74.92 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.758 0.313 . . . . 0.0 110.859 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 5.4 mp -47.46 -41.7 7.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.097 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.95 -59.75 4.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.152 179.814 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -56.42 -59.7 4.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.107 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 29.1 m-85 -50.08 -46.76 53.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.883 -179.795 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -54.98 -61.5 2.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.915 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 39.6 t-20 -56.02 -57.01 13.94 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.871 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.8 m -48.86 139.27 10.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.865 -179.835 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 88.6 mttt -99.66 151.65 20.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.931 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . 0.468 ' CH2' ' HA ' ' A' ' 19' ' ' PRO . 82.9 t90 -44.17 157.02 0.06 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.928 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -149.75 143.92 17.23 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.639 0.733 . . . . 0.0 110.889 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.468 ' HA ' ' CH2' ' A' ' 17' ' ' TRP . 53.8 Cg_endo -69.74 96.73 0.6 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.634 2.223 . . . . 0.0 112.358 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 5.8 p -129.39 135.65 61.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.111 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 12.8 ttmm -86.22 116.73 24.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.922 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . 0.528 ' CH2' ' HB3' ' A' ' 28' ' ' CYS . 93.3 m95 -80.83 138.38 36.22 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.898 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.476 ' O ' ' CG ' ' A' ' 26' ' ' MET . 2.5 pt-20 -125.28 136.08 53.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.879 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.412 ' C ' ' O ' ' A' ' 23' ' ' GLU . 15.4 m120 -37.15 153.02 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.909 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 38.7 m-20 56.26 50.11 13.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.835 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' MET . . . . . 0.476 ' CG ' ' O ' ' A' ' 23' ' ' GLU . 23.9 mmm -121.48 165.24 15.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.842 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 16.8 m170 -117.45 141.48 48.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.876 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.528 ' HB3' ' CH2' ' A' ' 22' ' ' TRP . 7.7 p -164.53 162.28 21.67 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.908 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -101.39 114.07 27.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.091 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.498 ' N ' ' O ' ' A' ' 39' ' ' ARG . 2.3 p -90.41 144.01 10.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.132 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.556 ' HB2' ' CH2' ' A' ' 38' ' ' TRP . 6.3 ttpm? -103.12 135.21 45.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.873 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.471 ' CD1' ' HB3' ' A' ' 35' ' ' LYS . 4.3 mt -88.7 149.23 4.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.144 179.855 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.403 ' CG ' ' H ' ' A' ' 34' ' ' ASP . 15.8 pt20 -87.47 -55.71 3.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.914 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.403 ' H ' ' CG ' ' A' ' 33' ' ' GLN . 0.2 OUTLIER -72.61 -41.86 65.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.863 179.968 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.471 ' HB3' ' CD1' ' A' ' 32' ' ' ILE . 0.0 OUTLIER -78.2 157.84 29.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.858 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . 0.496 ' O ' ' NE2' ' A' ' 37' ' ' GLN . 4.3 m120 -110.66 40.41 2.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.855 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.496 ' NE2' ' O ' ' A' ' 36' ' ' ASN . 5.1 mp0 -134.46 179.42 6.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.902 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . 0.556 ' CH2' ' HB2' ' A' ' 31' ' ' LYS . 43.2 m95 -120.44 117.07 26.74 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.944 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.498 ' O ' ' N ' ' A' ' 30' ' ' VAL . 13.6 mmp_? -104.22 165.82 10.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.884 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 83.1 mtm180 -116.25 144.07 44.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.837 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -136.88 161.28 25.09 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.445 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.463 ' O ' ' N ' ' A' ' 44' ' ' ILE . 34.8 tt0 -107.49 119.35 39.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.795 0.331 . . . . 0.0 110.895 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.427 ' CG1' ' HB2' ' A' ' 26' ' ' MET . 49.4 mm -48.27 89.97 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.129 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.463 ' N ' ' O ' ' A' ' 42' ' ' GLN . 41.5 mt -68.95 -66.89 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.116 179.846 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 9.0 ptm180 -156.08 127.03 6.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.862 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 19.5 mtp -69.94 112.62 6.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.861 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 12.7 t -73.98 -64.33 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.144 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 15.9 p -130.63 -177.02 4.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.144 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 27.8 m-20 -72.91 1.82 8.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.843 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.4 ' O ' ' OD1' ' A' ' 66' ' ' ASN . 16.8 p -131.06 -31.32 1.7 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.112 -179.884 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 51.6 mt -103.21 154.75 19.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.937 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 54.0 t -153.66 133.96 4.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.192 179.854 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.42 ' O ' ' N ' ' A' ' 44' ' ' ILE . 11.1 tt0 -84.34 123.0 29.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.893 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 2.4 m -126.67 160.74 34.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.14 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.403 ' HB2' ' CD1' ' A' ' 44' ' ' ILE . 8.7 tp -119.65 121.47 39.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.928 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.432 ' O ' ' C ' ' A' ' 57' ' ' TYR . 34.4 mt -77.75 49.3 0.75 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.879 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.432 ' C ' ' O ' ' A' ' 56' ' ' LEU . 50.9 p90 -35.98 -37.35 0.1 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.952 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.498 ' OD1' ' N ' ' A' ' 58' ' ' ASP . 3.1 p-10 -49.92 -49.74 48.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.855 179.888 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 35.4 m -99.41 -47.06 12.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.109 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 116.16 48.16 0.49 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.501 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 38.5 t -135.76 125.04 40.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.788 0.328 . . . . 0.0 111.154 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -89.41 120.9 31.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.916 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.401 ' N ' HD23 ' A' ' 63' ' ' LEU . 0.8 OUTLIER -151.19 175.81 11.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.927 -179.927 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 3.6 p -134.42 125.89 47.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.156 179.814 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 3.9 m -118.43 172.4 5.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.132 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . 0.4 ' OD1' ' O ' ' A' ' 50' ' ' THR . 12.6 t30 -84.91 136.5 33.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.915 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 15.7 m -46.89 -26.88 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.109 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 32.6 t0 -62.35 -37.55 86.09 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.85 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 17.8 m -80.76 -24.92 38.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.904 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 80.0 mt -67.11 149.7 50.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.929 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 66.6 mmt-85 -139.61 137.6 35.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.921 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 31.1 mtpt -63.94 129.24 39.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.921 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 2.3 tp -85.68 92.71 8.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.923 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.403 ' CD ' ' HG ' ' A' ' 77' ' ' LEU . 10.1 pt-20 -63.09 -178.0 0.2 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.855 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -85.26 -54.84 4.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.914 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -45.35 -58.84 3.02 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.884 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.42 ' CD2' ' HA ' ' A' ' 8' ' ' MET . 66.7 mt -56.55 -33.67 66.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.954 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 11.7 ttmm -61.17 -44.52 97.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.903 179.839 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 72.0 p -132.53 115.32 15.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.146 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -78.94 168.1 20.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.877 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -161.01 80.47 0.15 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.508 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 11.8 ttp85 -98.62 33.62 2.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.791 0.329 . . . . 0.0 110.868 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.44 ' N ' HD22 ' A' ' 83' ' ' LEU . 4.0 mm? -98.76 -57.93 2.07 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.899 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 87.8 p -159.02 113.76 2.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.855 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 9.5 mt . . . . . 0 C--N 1.328 -0.352 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.909 179.975 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.374 0 N-CA-C 112.518 -0.233 . . . . 0.0 112.518 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.7 m -51.63 153.34 2.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.831 0.348 . . . . 0.0 110.874 -179.762 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 95.4 p -79.96 155.11 27.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.839 -179.821 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 161.61 -65.73 0.26 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.529 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 84.8 p -58.82 147.12 34.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.837 0.351 . . . . 0.0 110.878 -179.8 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 66.9 m 39.17 51.21 1.98 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.895 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -55.57 -45.99 82.86 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.488 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.8 mtp -57.36 -75.45 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.788 0.328 . . . . 0.0 110.88 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 5.3 mp -43.53 -48.27 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.158 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.82 -63.67 1.1 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.095 179.79 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -45.06 -57.75 3.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.109 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 32.1 m-85 -56.26 -43.22 78.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.893 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -53.11 -62.27 1.76 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.89 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -60.94 -42.42 98.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.874 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 49.4 p -53.1 141.94 21.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.82 -179.841 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 8.5 ptpp? -100.6 159.18 15.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.899 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . 0.411 ' NE1' ' HA ' ' A' ' 68' ' ' ASP . 89.1 t90 -63.15 157.82 21.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.901 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -156.76 140.13 11.16 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.629 0.728 . . . . 0.0 110.849 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 94.48 0.53 Allowed 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.676 2.251 . . . . 0.0 112.37 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 3.1 p -128.85 117.16 43.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.111 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.9 tppp? -68.27 117.54 10.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.916 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 88.2 m95 -80.53 119.2 22.88 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.884 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -94.97 155.91 16.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.83 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 5.8 m120 -60.55 141.97 55.94 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.887 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 10.7 t70 70.08 50.42 0.44 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.846 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 36.8 mtp -128.96 168.98 15.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.91 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 13.8 m170 -117.51 141.04 48.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.822 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 25.7 p -153.46 177.56 10.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.894 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -122.42 120.32 33.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.118 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.449 HG23 ' CG1' ' A' ' 65' ' ' VAL . 5.6 p -94.97 148.58 4.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.155 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.483 ' HB2' ' CH2' ' A' ' 38' ' ' TRP . 44.4 tttt -104.99 112.92 26.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.942 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.427 HG22 ' CB ' ' A' ' 35' ' ' LYS . 36.9 mt -71.41 140.77 17.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.104 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -75.35 -74.4 0.21 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.935 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -53.39 -40.96 65.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.858 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.427 ' CB ' HG22 ' A' ' 32' ' ' ILE . 7.3 tptt -89.95 154.31 19.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.902 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 7.9 t-20 -107.24 31.41 5.4 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.886 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 -117.92 154.71 31.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.89 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . 0.483 ' CH2' ' HB2' ' A' ' 31' ' ' LYS . 48.2 m95 -107.71 115.23 29.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.904 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 31.0 mtm180 -106.01 134.8 48.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.852 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 21.0 ptt180 -81.31 148.89 29.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.9 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -140.21 178.46 19.87 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.477 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 38.0 tt0 -118.6 122.07 41.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.757 0.313 . . . . 0.0 110.972 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 49.0 mm -52.92 92.46 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.142 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.453 ' CD1' ' HB2' ' A' ' 55' ' ' LEU . 53.9 mt -71.25 -70.02 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.142 179.859 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.425 ' O ' ' CG ' ' A' ' 45' ' ' ARG . 20.5 ptt85 -152.9 122.85 6.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.871 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.42 ' HG2' ' CG2' ' A' ' 52' ' ' VAL . 33.8 mtp -68.27 117.61 10.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.882 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 43.5 t -78.43 -71.08 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.133 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 44.6 p -122.91 -175.84 3.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.099 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -75.08 -0.08 17.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.876 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 58.9 p -127.61 -27.37 2.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.155 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 6.4 mt -108.97 159.65 16.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.875 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.42 ' CG2' ' HG2' ' A' ' 46' ' ' MET . 20.0 t -158.42 135.83 2.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.14 179.813 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 11.7 tt0 -85.59 123.04 30.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.938 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 2.4 m -124.76 165.92 21.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.147 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.453 ' HB2' ' CD1' ' A' ' 44' ' ' ILE . 6.9 tp -121.48 120.82 36.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.934 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.44 ' O ' ' C ' ' A' ' 57' ' ' TYR . 30.1 mt -79.76 46.59 0.79 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.913 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.44 ' C ' ' O ' ' A' ' 56' ' ' LEU . 30.0 p90 -35.26 -36.22 0.06 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.928 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.434 ' N ' ' CD1' ' A' ' 57' ' ' TYR . 6.5 p-10 -48.69 -49.78 36.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.918 179.857 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 35.1 m -100.83 -42.16 9.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.129 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 112.76 49.16 0.6 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.513 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 43.0 t -137.36 126.69 35.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.816 0.341 . . . . 0.0 111.119 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -92.78 118.61 31.27 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.863 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -150.04 175.73 11.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.951 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.419 HG22 ' N ' ' A' ' 65' ' ' VAL . 3.5 p -131.54 133.85 61.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.093 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.449 ' CG1' HG23 ' A' ' 30' ' ' VAL . 5.4 m -125.54 176.64 5.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.126 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 5.5 t30 -88.18 136.74 32.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.875 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 16.1 m -52.09 -40.57 30.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.127 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.411 ' HA ' ' NE1' ' A' ' 17' ' ' TRP . 0.5 OUTLIER -53.67 -20.03 4.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.885 179.923 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 2.6 m -98.92 -23.42 15.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.873 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 87.2 mt -70.1 156.73 38.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.969 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 3.4 mmp_? -140.66 157.94 44.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.879 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 26.1 mtpp -77.06 117.72 18.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.94 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 2.1 tp -69.26 100.73 1.36 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.963 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 24.2 mm-40 -80.44 149.97 29.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.877 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 25.6 tt0 -55.21 -54.46 43.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.887 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 14.6 p-10 -47.08 -50.27 20.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.902 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 51.3 mt -73.51 -23.34 60.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.931 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 21.1 tttt -70.76 -53.2 16.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.876 179.841 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 11.9 t -118.17 130.36 56.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.096 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 10.2 mtt -148.44 134.23 18.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.915 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 63.25 -80.44 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.465 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 17.4 mtt-85 -108.63 144.58 36.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.876 0.37 . . . . 0.0 110.857 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.417 ' HG ' ' N ' ' A' ' 84' ' ' SER . 1.3 pt? -82.9 -38.09 23.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.952 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' SER . . . . . 0.417 ' N ' ' HG ' ' A' ' 83' ' ' LEU . 54.8 p -130.73 101.23 5.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.886 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.354 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.872 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.4 m -96.5 -59.87 1.73 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.909 0.385 . . . . 0.0 110.874 -179.778 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.6 t -95.75 79.72 3.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.902 -179.844 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -90.31 168.34 33.56 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.482 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 51.6 m -105.92 -49.04 3.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.901 0.381 . . . . 0.0 110.877 -179.733 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 34.6 p -69.31 -57.12 5.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.849 -179.802 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.414 ' O ' ' C ' ' A' ' 8' ' ' MET . . . 58.62 -102.01 0.24 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.481 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.414 ' C ' ' O ' ' A' ' 7' ' ' GLY . 4.0 mtp -36.8 -75.43 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.721 0.296 . . . . 0.0 110.843 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 5.4 mp -42.68 -43.25 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.155 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -56.59 -59.66 4.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.085 179.804 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -54.77 -57.27 12.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.157 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.559 ' CD1' ' HB3' ' A' ' 71' ' ' ARG . 40.2 m-85 -51.6 -57.32 9.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.917 -179.881 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 9.6 tm-20 -51.35 -54.68 23.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.853 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 8.8 t30 -54.66 -44.6 73.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.862 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.1 t -64.16 162.3 14.7 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.846 -179.825 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.3 mmmp? -116.35 173.91 6.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.861 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . 0.5 ' CH2' ' HA ' ' A' ' 19' ' ' PRO . 79.8 t90 -55.91 142.99 33.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.945 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 16.8 tp10 -135.08 134.79 21.9 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.628 0.727 . . . . 0.0 110.933 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.5 ' HA ' ' CH2' ' A' ' 17' ' ' TRP . 53.9 Cg_endo -69.72 96.5 0.59 Allowed 'Trans proline' 0 C--O 1.231 0.144 0 C-N-CA 122.744 2.296 . . . . 0.0 112.337 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 4.8 p -135.2 140.14 45.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.105 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 25.2 ttmt -88.62 114.8 25.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.886 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . 0.552 ' CZ3' ' HB3' ' A' ' 28' ' ' CYS . 78.8 m95 -76.08 113.9 14.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.943 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -95.99 158.99 15.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.859 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 8.9 m120 -59.92 157.55 12.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.908 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 46.0 49.48 12.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.918 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' MET . . . . . 0.452 ' HB2' ' CG1' ' A' ' 43' ' ' ILE . 39.7 mmm -113.38 172.84 6.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.896 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 13.4 m170 -121.68 139.86 53.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.862 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.552 ' HB3' ' CZ3' ' A' ' 22' ' ' TRP . 24.8 p -162.73 168.99 20.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.846 -179.878 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -111.17 124.25 51.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.057 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.447 HG22 ' N ' ' A' ' 31' ' ' LYS . 7.2 p -106.02 154.29 7.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.148 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.447 ' N ' HG22 ' A' ' 30' ' ' VAL . 16.6 ttpp -108.93 121.31 44.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.905 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 29.5 mt -68.64 140.72 18.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.146 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.412 ' HG3' ' N ' ' A' ' 34' ' ' ASP . 27.4 pt20 -81.54 -52.96 6.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.892 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.412 ' N ' ' HG3' ' A' ' 33' ' ' GLN . 18.1 m-20 -61.87 -46.89 87.47 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.865 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.464 ' HD3' ' N ' ' A' ' 35' ' ' LYS . 0.0 OUTLIER -98.41 -178.58 4.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.911 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 14.2 m120 -123.86 36.47 4.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.868 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 72.6 mt-30 -114.95 132.34 56.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.91 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 42.8 m95 -82.55 111.37 18.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.88 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 5.1 mmp_? -104.79 172.15 6.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.877 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -107.0 156.92 18.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.883 -179.905 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -148.54 162.96 28.96 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.492 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.449 ' O ' ' N ' ' A' ' 44' ' ' ILE . 36.6 tt0 -116.75 118.1 31.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.779 0.323 . . . . 0.0 110.892 -179.906 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.452 ' CG1' ' HB2' ' A' ' 26' ' ' MET . 45.7 mm -47.42 91.61 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.148 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.449 ' N ' ' O ' ' A' ' 42' ' ' GLN . 54.1 mt -70.7 -66.67 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.148 179.863 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 6.4 ptm180 -154.96 121.27 5.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.875 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 37.2 mtp -67.77 111.98 4.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.908 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 18.9 t -75.25 -68.56 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.127 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 75.0 p -125.32 172.59 9.47 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.156 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 66.9 m-20 -58.23 -12.03 3.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.914 179.844 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 72.2 p -120.58 -35.36 3.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.169 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 68.4 mt -91.88 146.82 23.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.888 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.405 ' C ' HG23 ' A' ' 64' ' ' VAL . 37.2 t -152.75 130.27 2.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.15 179.835 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.416 ' O ' ' N ' ' A' ' 44' ' ' ILE . 12.8 tt0 -84.32 121.66 27.84 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.902 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 6.1 m -124.11 156.48 31.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.173 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.424 ' HB2' ' CD1' ' A' ' 44' ' ' ILE . 11.7 tp -111.85 120.67 42.72 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.918 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.421 ' O ' ' C ' ' A' ' 57' ' ' TYR . 47.8 mt -78.43 49.86 0.89 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.907 179.892 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.421 ' C ' ' O ' ' A' ' 56' ' ' LEU . 39.2 p90 -36.84 -35.52 0.09 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.919 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -50.3 -48.45 55.1 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.843 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 33.7 m -101.51 -45.11 11.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.126 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 114.75 48.24 0.55 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.516 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 43.1 t -136.09 126.25 41.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.791 0.329 . . . . 0.0 111.156 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -91.34 118.92 30.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.883 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -152.23 176.24 11.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.927 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.405 HG23 ' C ' ' A' ' 52' ' ' VAL . 3.5 p -129.66 131.34 66.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.1 179.823 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 13.6 m -124.12 164.61 22.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.124 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 25.9 t30 -78.45 132.75 37.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.855 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 19.1 m -49.39 -19.33 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.155 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -63.88 -37.15 86.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.848 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 7.9 m -85.3 -27.05 26.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.921 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 35.9 mt -61.26 138.79 58.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.927 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.559 ' HB3' ' CD1' ' A' ' 12' ' ' TYR . 51.9 mmt-85 -126.04 144.89 50.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.933 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 36.9 mtmt -71.55 118.78 14.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.932 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 3.6 tp -67.28 96.69 0.5 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.914 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 37.6 mm-40 -64.11 145.74 55.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.86 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -61.68 -26.0 67.75 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.883 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 16.3 t-20 -71.56 -59.75 2.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.889 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 81.0 mt -62.99 -29.94 71.21 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.894 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -69.3 -45.83 68.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.902 179.855 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 63.0 p -85.88 88.71 7.61 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.098 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 16.6 ttm -136.58 121.65 18.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.912 179.869 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . 0.448 ' O ' ' C ' ' A' ' 82' ' ' ARG . . . 71.11 171.57 11.82 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.495 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.448 ' C ' ' O ' ' A' ' 81' ' ' GLY . 0.0 OUTLIER -34.83 136.93 0.14 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.831 0.348 . . . . 0.0 110.9 -179.877 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.431 ' C ' ' O ' ' A' ' 82' ' ' ARG . 2.3 mm? -36.11 127.72 0.73 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.883 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 4.1 t -107.16 41.33 1.5 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.834 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 9.1 tp . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.903 179.958 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.365 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 80.5 p -55.06 -30.4 59.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.866 0.365 . . . . 0.0 110.869 -179.745 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.2 t -171.09 153.68 3.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.872 -179.83 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 95.39 131.77 6.68 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.483 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.7 t -136.13 108.49 7.34 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.862 0.363 . . . . 0.0 110.842 -179.704 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.7 m -113.65 41.05 2.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.823 -179.788 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -42.28 -35.71 1.9 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.49 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 6.2 mtp -61.61 -71.75 0.14 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.77 0.319 . . . . 0.0 110.913 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 4.9 mp -54.42 -44.62 67.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.151 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -56.62 -49.87 73.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.119 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.8 -59.4 4.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.066 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.454 ' CZ ' HD13 ' A' ' 77' ' ' LEU . 42.4 m-85 -47.75 -50.63 24.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.986 -179.893 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -60.88 -45.69 93.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.887 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -60.1 -38.11 81.97 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.885 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.2 t -72.63 179.04 3.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.897 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.413 ' O ' ' C ' ' A' ' 17' ' ' TRP . 3.7 mtmp? -136.11 144.62 45.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.892 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . 0.432 ' CH2' ' HA ' ' A' ' 19' ' ' PRO . 48.5 t90 -37.29 130.33 0.92 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.904 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -122.03 140.32 32.02 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.616 0.722 . . . . 0.0 110.91 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.432 ' HA ' ' CH2' ' A' ' 17' ' ' TRP . 53.5 Cg_endo -69.74 91.42 0.51 Allowed 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.665 2.244 . . . . 0.0 112.353 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 4.1 p -126.56 137.73 56.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.106 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 22.2 tptp -86.25 110.82 19.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.896 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . 0.533 ' CZ3' ' HB3' ' A' ' 28' ' ' CYS . 82.4 m95 -73.04 123.44 23.54 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.928 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -107.27 156.63 18.66 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.86 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 26.9 t-20 -56.33 144.27 31.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.87 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 4.5 t70 61.66 51.92 3.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.83 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 26.8 mmm -122.8 164.59 18.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.887 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 17.7 m170 -114.55 147.82 38.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.845 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.533 ' HB3' ' CZ3' ' A' ' 22' ' ' TRP . 26.6 p -167.05 157.88 11.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.872 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -97.37 114.94 26.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.118 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.405 ' N ' ' O ' ' A' ' 39' ' ' ARG . 4.6 p -89.82 149.02 4.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.098 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.517 ' HB2' ' CH2' ' A' ' 38' ' ' TRP . 36.1 tttt -108.66 125.06 51.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.916 179.864 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 39.0 mt -82.64 144.09 10.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.165 179.855 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 16.8 pt20 -91.36 -39.06 12.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.957 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -75.67 -14.71 60.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.894 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 38.1 mmtt -127.06 176.29 7.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.955 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 50.2 t30 -119.84 36.35 4.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.882 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 50.6 mt-30 -116.42 177.38 4.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.921 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . 0.517 ' CH2' ' HB2' ' A' ' 31' ' ' LYS . 52.4 m95 -129.73 111.57 12.78 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.921 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.405 ' O ' ' N ' ' A' ' 30' ' ' VAL . 97.1 mtt180 -105.42 178.21 4.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.83 -179.909 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -116.97 162.57 17.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.847 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -153.1 162.28 30.05 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.488 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 42.6 tt0 -113.1 116.2 29.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.797 0.332 . . . . 0.0 110.932 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 47.4 mm -46.24 96.53 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.096 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.462 ' CD1' ' HB2' ' A' ' 55' ' ' LEU . 69.6 mt -77.0 -67.65 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.153 179.823 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.424 ' O ' ' CG ' ' A' ' 45' ' ' ARG . 19.6 ptt180 -154.11 121.28 5.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 49.6 mtp -68.04 112.52 5.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.883 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 78.4 t -73.7 -66.97 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.156 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 46.7 p -125.0 173.55 8.6 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.117 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 69.9 m-20 -61.35 -9.08 4.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.892 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 15.4 p -121.73 -34.24 3.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.123 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 35.7 mt -95.33 154.42 17.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.904 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.414 ' C ' HG23 ' A' ' 64' ' ' VAL . 47.6 t -157.21 132.24 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.18 179.821 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 16.3 tt0 -84.31 122.68 29.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.886 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 4.8 m -124.43 162.71 25.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.117 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.462 ' HB2' ' CD1' ' A' ' 44' ' ' ILE . 12.4 tp -119.5 121.01 38.46 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.911 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.45 ' O ' ' C ' ' A' ' 57' ' ' TYR . 33.3 mt -77.32 47.84 0.59 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.904 179.885 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.45 ' C ' ' O ' ' A' ' 56' ' ' LEU . 47.7 p90 -34.33 -38.9 0.07 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.909 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -48.27 -51.43 25.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.869 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 34.1 m -97.56 -45.66 12.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.121 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 114.56 48.07 0.56 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.427 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 40.3 t -136.11 125.76 39.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.786 0.327 . . . . 0.0 111.165 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 -89.11 120.6 30.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.85 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -150.66 176.49 10.96 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.956 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.414 HG23 ' C ' ' A' ' 52' ' ' VAL . 4.1 p -134.51 125.77 47.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.161 179.816 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 6.3 m -120.07 168.14 12.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.114 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 35.9 t30 -82.07 134.11 35.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.89 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 15.6 m -47.18 -29.16 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.152 179.878 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 15.0 t0 -58.09 -37.26 74.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.906 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 5.6 m -80.47 -34.24 36.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.888 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 61.4 mt -57.06 150.95 16.05 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.945 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 12.2 mmt85 -142.9 149.35 38.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.888 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 1.7 mmmm -66.78 132.92 49.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.906 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 3.7 tp -93.4 93.2 8.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -69.6 160.61 31.22 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.873 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -68.66 -38.44 80.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.843 -179.878 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 5.7 m-20 -46.12 -58.24 3.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.895 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.454 HD13 ' CZ ' ' A' ' 12' ' ' TYR . 11.9 mt -62.73 -34.33 76.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.924 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 21.4 ttpt -54.53 -48.37 72.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.908 179.838 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 61.3 p -92.29 52.0 1.87 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.113 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 27.4 ttp -157.28 143.6 17.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.868 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 86.6 -140.36 17.23 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.497 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.548 ' HE ' ' N ' ' A' ' 83' ' ' LEU . 0.0 OUTLIER -86.54 111.73 20.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.896 0.379 . . . . 0.0 110.874 -179.866 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.548 ' N ' ' HE ' ' A' ' 82' ' ' ARG . 2.0 pt? -142.82 129.31 20.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.96 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 26.4 m -80.03 82.14 6.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.877 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 2.3 tt . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.928 -179.987 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 27.8 m -53.53 -47.87 69.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.84 0.352 . . . . 0.0 110.847 -179.742 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.9 m -156.29 109.38 2.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.861 -179.838 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -80.24 59.49 4.57 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.529 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 42.6 p -55.8 -40.87 73.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.855 0.359 . . . . 0.0 110.869 -179.748 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 35.1 m -127.35 105.86 8.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.83 -179.844 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -114.3 -46.13 0.65 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.466 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 3.2 mtp -66.91 -72.64 0.16 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.738 0.304 . . . . 0.0 110.858 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 5.2 mp -49.26 -42.19 15.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.115 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.06 -59.49 4.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.071 179.829 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -52.18 -54.74 27.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.133 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 35.4 m-85 -57.05 -55.77 30.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.883 -179.831 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -47.21 -61.81 1.72 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.892 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -52.06 -47.23 65.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.936 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.0 m -63.45 143.07 58.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.889 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 15.0 ptpt -90.84 158.06 17.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.869 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . 0.506 ' CG ' ' N ' ' A' ' 18' ' ' GLU . 84.5 t90 -47.8 168.14 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.923 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.506 ' N ' ' CG ' ' A' ' 17' ' ' TRP . 7.3 tp10 -156.58 136.37 8.45 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.662 0.744 . . . . 0.0 110.859 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 100.86 0.85 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.702 2.268 . . . . 0.0 112.308 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 1.7 p -132.81 122.02 45.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.141 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 32.5 tttt -68.23 107.05 2.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.928 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . 0.492 ' CZ3' ' HB3' ' A' ' 28' ' ' CYS . 66.7 m95 -70.92 111.07 6.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.927 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -90.38 155.05 19.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.942 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.475 HD21 ' N ' ' A' ' 25' ' ' ASP . 0.4 OUTLIER -58.68 156.38 11.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.889 -179.917 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.475 ' N ' HD21 ' A' ' 24' ' ' ASN . 0.5 OUTLIER 47.71 52.21 12.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.844 179.873 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' MET . . . . . 0.443 ' HB2' ' CG1' ' A' ' 43' ' ' ILE . 27.2 mmm -118.47 174.29 6.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.895 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 19.1 m170 -119.82 140.68 50.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.878 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.492 ' HB3' ' CZ3' ' A' ' 22' ' ' TRP . 24.8 p -161.88 168.63 22.68 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.864 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -112.66 119.32 37.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.122 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.47 HG22 ' CG1' ' A' ' 65' ' ' VAL . 12.6 p -99.57 154.57 4.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.116 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.453 ' N ' HG23 ' A' ' 30' ' ' VAL . 13.7 ttpp -111.92 125.68 54.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.866 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.421 HG22 ' N ' ' A' ' 33' ' ' GLN . 63.7 mt -78.71 138.0 20.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.147 179.843 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.421 ' N ' HG22 ' A' ' 32' ' ' ILE . 28.1 pt20 -81.18 -46.16 15.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.905 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.404 ' OD2' ' NZ ' ' A' ' 35' ' ' LYS . 19.5 t0 -62.55 -39.14 92.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.837 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.404 ' NZ ' ' OD2' ' A' ' 34' ' ' ASP . 12.0 mptt -108.31 -177.06 3.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.885 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -125.96 40.7 3.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.928 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -125.44 137.56 53.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.899 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 56.0 m95 -84.75 124.8 31.95 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.932 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 56.1 mtt180 -111.34 179.98 3.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.892 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 89.5 mtm180 -118.14 142.58 47.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.86 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -142.68 148.64 20.43 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.524 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.465 ' O ' ' N ' ' A' ' 44' ' ' ILE . 48.9 tt0 -100.38 117.71 35.13 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.768 0.318 . . . . 0.0 110.906 -179.832 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.443 ' CG1' ' HB2' ' A' ' 26' ' ' MET . 47.1 mm -44.24 91.81 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.158 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.465 ' N ' ' O ' ' A' ' 42' ' ' GLN . 32.0 mt -68.32 -64.18 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.161 179.821 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -158.77 125.7 4.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.88 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.424 ' HE3' ' CG2' ' A' ' 52' ' ' VAL . 14.0 mtp -68.53 107.81 3.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.895 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 11.2 t -71.48 -68.7 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.128 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.3 p -129.18 -177.47 4.25 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.147 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -72.5 -6.33 43.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.844 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 48.0 p -125.52 -13.61 6.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.111 -179.84 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 74.7 mt -121.19 152.61 38.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.893 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.424 ' CG2' ' HE3' ' A' ' 46' ' ' MET . 19.9 t -154.91 133.08 2.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.13 179.851 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.42 ' O ' ' N ' ' A' ' 44' ' ' ILE . 12.7 tt0 -84.29 125.11 31.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.926 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -126.13 158.07 35.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.102 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.404 ' CD1' ' HG3' ' A' ' 62' ' ' GLU . 3.5 tp -115.73 119.66 36.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.955 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.491 ' O ' ' N ' ' A' ' 58' ' ' ASP . 66.2 mt -75.74 48.97 0.49 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.944 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.429 ' C ' ' O ' ' A' ' 56' ' ' LEU . 40.5 p90 -36.24 -30.39 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.926 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.491 ' N ' ' O ' ' A' ' 56' ' ' LEU . 10.6 p-10 -55.26 -49.38 72.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.837 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 35.6 m -101.82 -40.9 7.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.108 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 116.14 34.51 1.34 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.513 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 41.2 t -125.69 124.11 65.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.817 0.341 . . . . 0.0 111.122 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.404 ' HG3' ' CD1' ' A' ' 55' ' ' LEU . 7.3 mp0 -95.19 117.2 29.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.862 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -143.83 168.77 19.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.903 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.421 HG22 ' C ' ' A' ' 52' ' ' VAL . 4.8 p -119.98 127.94 75.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.163 179.831 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.47 ' CG1' HG22 ' A' ' 30' ' ' VAL . 4.6 m -120.58 172.01 8.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.145 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 3.9 t30 -82.7 130.68 35.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.885 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.419 ' CG1' HG23 ' A' ' 52' ' ' VAL . 13.4 m -46.44 -29.49 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.098 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.4 ' OD1' ' C ' ' A' ' 68' ' ' ASP . 6.3 t0 -52.43 -37.98 58.06 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.859 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 9.1 m -86.68 -27.99 23.42 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.873 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 32.2 mt -62.22 134.78 56.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.909 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 48.5 mmm-85 -135.28 149.97 49.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.882 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 44.5 mtmt -67.0 135.05 53.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.903 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 3.2 tp -87.57 94.86 9.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.918 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 38.0 mm-40 -52.3 166.25 0.19 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.881 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -78.95 -56.72 4.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.909 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 8.0 m-20 -52.47 -57.4 10.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.929 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 68.9 mt -52.56 -40.49 62.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.929 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 25.5 ttmt -59.81 -49.39 77.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.893 179.843 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 60.3 p -118.76 80.93 1.61 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.132 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 7.9 ptm -119.23 132.69 55.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.88 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -93.13 89.01 1.3 Allowed Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.498 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 7.9 tpt180 -131.62 148.71 52.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.833 0.349 . . . . 0.0 110.895 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -132.24 149.2 52.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.934 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 54.4 p -116.02 99.86 7.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.835 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.921 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.456 -0.257 . . . . 0.0 112.456 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.4 m -70.74 162.27 29.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.875 0.369 . . . . 0.0 110.874 -179.726 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.6 m -116.51 -51.61 2.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.858 -179.836 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -140.24 -140.88 3.95 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.484 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.9 t -74.94 93.1 2.63 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.867 0.365 . . . . 0.0 110.867 -179.755 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.3 t -90.35 -50.51 5.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.859 -179.823 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.423 ' O ' ' C ' ' A' ' 8' ' ' MET . . . 62.22 -99.08 0.22 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.501 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.423 ' C ' ' O ' ' A' ' 7' ' ' GLY . 1.9 mtp -36.36 -75.34 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.717 0.294 . . . . 0.0 110.85 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 5.1 mp -44.8 -38.92 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.099 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.11 -60.88 2.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.121 179.808 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -56.99 -55.27 36.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.123 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.42 ' CZ ' HD11 ' A' ' 77' ' ' LEU . 30.8 m-85 -51.0 -54.02 28.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.955 -179.868 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -57.85 -52.7 64.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.891 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 5.8 t30 -53.41 -42.63 67.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.883 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 7.3 t -67.57 158.49 31.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.86 -179.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 42.3 mttp -109.58 175.26 5.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.882 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 80.7 t90 -63.88 142.64 58.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.975 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -139.77 131.6 14.77 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.645 0.736 . . . . 0.0 110.887 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 100.34 0.82 Allowed 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.661 2.241 . . . . 0.0 112.287 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 2.7 p -134.82 111.97 14.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.093 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 19.1 ttmt -60.52 93.3 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.905 179.858 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . 0.499 ' CZ3' ' HB3' ' A' ' 28' ' ' CYS . 92.1 m95 -57.59 119.39 6.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.935 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.427 ' O ' ' CG2' ' A' ' 43' ' ' ILE . 42.5 mt-10 -96.11 174.53 6.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.87 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.432 ' O ' ' CG ' ' A' ' 25' ' ' ASP . 26.6 t-20 -74.17 160.3 31.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.892 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.432 ' CG ' ' O ' ' A' ' 24' ' ' ASN . 2.2 p30 46.11 50.7 11.6 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.837 179.889 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 25.1 mtp -119.79 175.43 5.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.902 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.418 ' HB3' ' CD2' ' A' ' 73' ' ' LEU . 10.9 m170 -122.84 138.0 54.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.865 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.499 ' HB3' ' CZ3' ' A' ' 22' ' ' TRP . 25.8 p -158.61 161.75 37.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.876 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -106.25 134.51 49.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.106 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.466 HG23 ' N ' ' A' ' 31' ' ' LYS . 4.0 p -116.06 157.12 17.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.107 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.544 ' HB2' ' CZ2' ' A' ' 38' ' ' TRP . 17.0 ttpp -103.22 133.96 47.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.931 179.876 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 10.5 mt -89.01 143.49 11.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.144 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 17.9 mt-30 -79.75 -62.87 1.55 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.9 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -53.21 -46.0 68.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.853 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 8.9 mmtp -98.3 -179.91 4.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.883 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 80.5 m-20 -123.86 36.13 4.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.906 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -112.06 -175.4 2.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.875 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . 0.544 ' CZ2' ' HB2' ' A' ' 31' ' ' LYS . 30.6 m95 -135.59 111.93 9.81 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.931 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 10.8 mtt85 -106.85 135.88 47.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.861 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 3.2 ptp85 -80.49 141.49 35.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.877 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -129.63 171.85 20.11 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.459 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.443 ' O ' ' N ' ' A' ' 44' ' ' ILE . 12.7 tt0 -108.33 120.57 42.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.806 0.336 . . . . 0.0 110.894 -179.882 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.427 ' CG2' ' O ' ' A' ' 23' ' ' GLU . 44.6 mm -52.57 88.33 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.159 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.443 ' N ' ' O ' ' A' ' 42' ' ' GLN . 54.9 mt -65.79 -69.44 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.15 179.885 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 6.9 ptm180 -156.47 123.87 5.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.869 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 39.6 mtp -67.81 108.41 2.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.851 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 44.2 t -66.75 -67.69 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.114 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 32.4 p -125.16 -177.09 3.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.138 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -74.44 -1.1 19.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.894 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -125.78 -26.42 3.49 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.132 -179.905 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 3.1 mt -111.12 158.53 18.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.901 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.414 ' C ' HG23 ' A' ' 64' ' ' VAL . 39.5 t -154.21 134.94 4.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.089 179.82 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -84.85 121.41 27.68 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.888 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 2.1 m -124.01 158.78 30.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.1 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.413 ' HB2' ' CD1' ' A' ' 44' ' ' ILE . 6.6 tp -116.57 120.16 37.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.915 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.444 ' O ' ' C ' ' A' ' 57' ' ' TYR . 29.3 mt -78.31 46.75 0.64 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.951 179.849 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.444 ' C ' ' O ' ' A' ' 56' ' ' LEU . 36.7 p90 -33.95 -36.81 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.972 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.433 ' N ' ' O ' ' A' ' 56' ' ' LEU . 2.0 p-10 -49.37 -53.82 20.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.882 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 34.4 m -95.45 -42.31 12.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.156 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 111.85 49.38 0.63 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.498 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 41.5 t -137.67 126.02 32.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.815 0.341 . . . . 0.0 111.096 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -92.18 119.52 31.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.885 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.402 HD23 ' N ' ' A' ' 63' ' ' LEU . 0.9 OUTLIER -151.19 174.46 13.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.874 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.414 HG23 ' C ' ' A' ' 52' ' ' VAL . 3.5 p -132.46 128.17 57.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.1 179.851 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 4.9 m -118.49 171.9 6.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.136 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 15.3 t30 -84.63 133.62 34.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.886 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 27.7 m -47.32 -21.22 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.102 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 83.6 m-20 -61.93 -38.05 87.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.844 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 5.2 m -85.84 -25.81 26.04 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.935 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.401 ' O ' ' CZ ' ' A' ' 71' ' ' ARG . 56.8 mt -62.97 139.02 58.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.906 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.401 ' CZ ' ' O ' ' A' ' 70' ' ' LEU . 10.4 mmp_? -134.64 153.87 51.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.84 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 6.0 mtpm? -69.74 117.96 11.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.873 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.418 ' CD2' ' HB3' ' A' ' 27' ' ' HIS . 4.9 tp -67.5 97.38 0.58 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.971 179.876 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 29.9 mm-40 -62.21 159.45 14.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.88 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 15.8 tt0 -73.94 -48.97 26.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.901 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -49.92 -54.43 19.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.886 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.42 HD11 ' CZ ' ' A' ' 12' ' ' TYR . 90.3 mt -58.93 -34.18 71.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.919 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 22.6 ttpt -61.6 -51.57 67.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.946 179.836 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 73.3 p -68.91 -40.16 79.28 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.164 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 14.4 tmm? -54.61 -48.49 72.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.89 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -60.95 -91.85 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.713 -0.755 . . . . 0.0 112.477 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.467 ' HB2' ' CZ ' ' A' ' 82' ' ' ARG . 21.5 ttm105 -140.2 147.14 39.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.815 0.341 . . . . 0.0 110.88 -179.815 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.448 HD23 ' N ' ' A' ' 83' ' ' LEU . 4.5 mm? -57.59 147.4 27.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.924 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 77.0 p -125.77 40.57 3.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.908 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 3.0 mp . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.931 -179.983 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.359 0 N-CA-C 112.509 -0.236 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.9 m -69.22 105.94 2.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.816 0.341 . . . . 0.0 110.875 -179.74 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 64.9 m -75.2 -48.37 23.82 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.838 -179.78 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -157.88 91.18 0.12 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.506 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.3 m -110.83 138.57 47.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.893 0.378 . . . . 0.0 110.878 -179.727 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 35.0 m -97.42 105.82 18.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.848 -179.787 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -113.2 -47.64 0.64 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.5 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.3 mtt -61.99 -74.66 0.08 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.773 0.32 . . . . 0.0 110.907 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 5.3 mp -52.63 -50.39 41.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.13 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -46.94 -53.35 12.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.1 179.842 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -67.14 -62.75 1.27 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.112 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.504 ' CZ ' ' CD1' ' A' ' 77' ' ' LEU . 22.2 m-85 -43.24 -36.73 1.88 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.898 -179.858 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -74.56 -47.36 33.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.874 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . 0.426 ' OD1' ' C ' ' A' ' 14' ' ' ASN . 2.7 t30 -58.49 -42.36 87.43 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.898 -179.904 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 10.8 t -68.52 -176.77 0.82 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.881 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.439 ' N ' ' HD3' ' A' ' 16' ' ' LYS . 0.7 OUTLIER -146.08 171.78 14.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.879 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 74.5 t90 -39.93 152.6 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.927 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -157.84 137.0 8.17 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.632 0.73 . . . . 0.0 110.872 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 100.08 0.79 Allowed 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.723 2.282 . . . . 0.0 112.333 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 7.1 p -134.35 128.36 51.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.11 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 21.9 tptm -79.24 114.86 18.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.885 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . 0.497 ' CZ3' ' HB3' ' A' ' 28' ' ' CYS . 78.2 m95 -80.86 123.38 28.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.932 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 55.1 mm-40 -106.65 159.12 16.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.901 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 21.3 m120 -60.35 151.0 28.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.896 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 54.38 51.53 14.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.903 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 26.0 mmm -119.81 166.92 12.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.874 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 24.1 m170 -118.75 132.17 56.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.892 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.497 ' HB3' ' CZ3' ' A' ' 22' ' ' TRP . 26.7 p -151.26 165.68 33.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.853 -179.895 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -104.16 113.28 26.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.114 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.407 ' N ' ' O ' ' A' ' 39' ' ' ARG . 7.0 p -96.38 139.66 18.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.119 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.549 ' HB2' ' CH2' ' A' ' 38' ' ' TRP . 38.0 ttpt -98.8 133.02 43.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.886 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.419 HG21 ' N ' ' A' ' 33' ' ' GLN . 17.5 mt -79.97 145.8 8.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.154 179.862 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.419 ' N ' HG21 ' A' ' 32' ' ' ILE . 12.3 pt20 -91.11 -39.44 12.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.873 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -75.55 -39.73 57.83 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.879 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 12.5 mtmm -99.12 179.87 4.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.89 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -123.45 41.22 3.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.911 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 82.4 mt-30 -121.08 179.32 4.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.884 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . 0.549 ' CH2' ' HB2' ' A' ' 31' ' ' LYS . 57.1 m95 -124.93 117.4 23.98 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.941 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.407 ' O ' ' N ' ' A' ' 30' ' ' VAL . 97.1 mtt180 -114.75 163.89 14.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.861 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 1.2 mpp_? -106.4 151.74 24.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.88 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -141.65 159.47 26.84 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.45 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.476 ' O ' ' N ' ' A' ' 44' ' ' ILE . 40.8 tt0 -108.33 115.63 30.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.748 0.309 . . . . 0.0 110.895 -179.864 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 50.0 mm -45.5 91.01 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.106 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.476 ' N ' ' O ' ' A' ' 42' ' ' GLN . 22.3 mt -68.94 -63.97 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.12 179.853 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.4 ' O ' ' CG ' ' A' ' 45' ' ' ARG . 15.5 ptt180 -162.57 125.1 2.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.866 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 23.9 mtp -65.31 111.27 2.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.885 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 48.2 t -74.23 -66.25 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.109 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 29.7 p -127.26 -178.51 4.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.112 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -71.48 -2.92 18.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.886 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 46.1 p -128.23 -28.73 2.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.164 -179.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 62.0 mt -104.79 150.28 24.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.908 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 34.7 t -148.9 134.86 12.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.114 179.838 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.437 ' O ' ' N ' ' A' ' 44' ' ' ILE . 10.5 tt0 -84.43 122.13 28.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.892 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 2.6 m -126.13 158.23 35.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.121 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 7.9 tp -115.59 122.16 44.81 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.889 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.431 ' O ' ' C ' ' A' ' 57' ' ' TYR . 35.3 mt -78.61 49.26 0.86 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.95 179.869 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.431 ' C ' ' O ' ' A' ' 56' ' ' LEU . 42.4 p90 -36.14 -34.94 0.06 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.901 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.406 ' N ' ' O ' ' A' ' 56' ' ' LEU . 4.4 p-10 -51.27 -49.54 61.02 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.865 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 34.2 m -101.11 -44.78 11.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.176 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 113.47 52.55 0.48 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.512 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 44.9 t -139.85 126.37 22.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.782 0.325 . . . . 0.0 111.143 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 -89.02 119.82 29.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.894 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -150.08 176.27 10.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.9 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 2.6 p -135.33 130.34 50.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.187 179.796 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 8.2 m -122.97 174.52 7.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.144 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 9.5 t30 -85.94 134.93 33.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.956 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 4.0 m -46.59 -32.25 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.09 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -58.84 -36.35 74.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.836 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 4.9 m -79.15 -30.62 43.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.903 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 96.3 mt -63.13 157.53 22.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.944 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.424 ' HG3' ' CH2' ' A' ' 38' ' ' TRP . 15.3 mmt85 -141.93 152.2 43.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.906 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 19.1 mtpp -77.04 123.55 26.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.867 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 4.9 tp -76.89 115.81 17.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.929 179.874 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 52.7 mt-10 -81.48 164.38 22.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.899 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 -72.52 -35.02 67.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.876 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 35.0 m-20 -64.79 -56.34 14.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.875 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.504 ' CD1' ' CZ ' ' A' ' 12' ' ' TYR . 61.0 mt -59.3 -23.65 62.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.931 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 19.8 mtpp -71.52 -49.98 35.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.876 179.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' THR . . . . . 0.432 ' O ' ' C ' ' A' ' 80' ' ' MET . 70.2 p -62.99 -47.19 84.2 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.105 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' MET . . . . . 0.432 ' C ' ' O ' ' A' ' 79' ' ' THR . 22.0 ttm -35.75 -52.51 0.7 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.831 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -68.21 117.02 8.08 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.483 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 5.4 tpt180 -152.72 133.45 13.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.855 0.36 . . . . 0.0 110.894 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 14.9 mt -84.68 144.24 28.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.903 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 19.3 m -86.34 86.97 7.35 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.871 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 5.7 tt . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.9 -179.992 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.281 0 N-CA-C 112.471 -0.251 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 89.1 p -92.3 -42.76 9.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.906 0.384 . . . . 0.0 110.882 -179.739 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.7 m 50.71 41.09 25.64 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.841 -179.84 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -79.05 -142.87 2.4 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.498 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 75.6 m -68.11 156.6 37.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.915 0.388 . . . . 0.0 110.837 -179.785 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 93.9 p -161.68 112.82 1.69 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.864 -179.857 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -115.15 -66.77 0.42 Allowed Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.532 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.467 ' CE ' ' HD2' ' A' ' 40' ' ' ARG . 3.6 mtp -49.98 -75.42 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.74 0.305 . . . . 0.0 110.919 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 5.3 mp -44.46 -45.28 2.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.131 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -52.81 -63.46 1.14 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.093 179.787 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -54.85 -57.18 12.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.084 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.511 ' HB3' ' CE2' ' A' ' 38' ' ' TRP . 30.7 m-85 -47.74 -61.12 2.1 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.9 -179.84 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -49.48 -44.63 46.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.946 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -59.63 -43.48 93.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.877 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.1 t -69.22 173.93 5.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.875 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.444 ' O ' ' NH2' ' A' ' 71' ' ' ARG . 52.5 mttm -129.29 172.47 11.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.911 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . 0.419 ' CG ' ' N ' ' A' ' 18' ' ' GLU . 78.8 t90 -54.92 169.58 0.22 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.953 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.419 ' N ' ' CG ' ' A' ' 17' ' ' TRP . 4.7 tp10 -165.91 131.67 1.96 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.616 0.722 . . . . 0.0 110.878 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 97.81 0.65 Allowed 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.712 2.275 . . . . 0.0 112.354 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 2.7 p -133.02 132.04 58.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.127 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 14.1 ttmm -75.24 108.43 8.0 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.909 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . 0.508 ' CZ3' ' HB3' ' A' ' 28' ' ' CYS . 69.1 m95 -70.66 116.58 11.15 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.929 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -96.83 167.87 10.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.92 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.422 ' O ' ' C ' ' A' ' 25' ' ' ASP . 23.7 m120 -65.95 165.49 13.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.88 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.422 ' C ' ' O ' ' A' ' 24' ' ' ASN . 5.7 m-20 35.93 53.73 0.9 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.876 179.88 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 30.8 mmm -118.5 162.92 17.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.864 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 6.3 m170 -109.72 135.42 50.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.851 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.508 ' HB3' ' CZ3' ' A' ' 22' ' ' TRP . 25.8 p -159.45 161.06 35.42 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.887 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -110.53 123.08 49.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.1 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.428 ' N ' ' O ' ' A' ' 39' ' ' ARG . 2.5 p -98.28 131.87 44.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.119 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 34.0 ttpt -95.27 131.42 41.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.938 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 19.0 mt -79.44 144.62 10.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.148 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.43 ' HG2' ' N ' ' A' ' 34' ' ' ASP . 4.9 pm0 -94.33 -30.32 14.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.43 ' N ' ' HG2' ' A' ' 33' ' ' GLN . 56.1 m-20 -85.83 -2.26 58.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.861 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 26.5 mmmt -143.13 -179.47 6.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.944 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 27.7 m-80 -119.09 28.94 7.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.899 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.478 ' NE2' ' NH1' ' A' ' 39' ' ' ARG . 0.2 OUTLIER -114.77 136.29 53.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.92 -179.959 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . 0.511 ' CE2' ' HB3' ' A' ' 12' ' ' TYR . 16.3 m95 -87.53 119.25 27.63 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.886 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.478 ' NH1' ' NE2' ' A' ' 37' ' ' GLN . 21.0 mmt-85 -104.01 155.83 18.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.845 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.467 ' HD2' ' CE ' ' A' ' 8' ' ' MET . 2.0 mpp_? -101.93 152.36 21.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.879 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -151.97 154.34 25.48 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.483 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.46 ' O ' ' N ' ' A' ' 44' ' ' ILE . 56.2 tt0 -109.6 114.71 28.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.741 0.305 . . . . 0.0 110.917 -179.848 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 49.8 mm -42.56 93.27 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.143 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.46 ' N ' ' O ' ' A' ' 42' ' ' GLN . 53.1 mt -72.1 -68.07 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.142 179.837 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 5.2 ptm180 -156.72 127.52 6.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.876 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 16.7 mtp -69.81 119.68 14.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.905 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 43.5 t -84.68 -63.19 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.152 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 18.1 p -127.94 -176.13 3.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.153 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -74.94 -5.2 42.53 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.856 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 42.7 p -125.36 -26.61 3.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.106 -179.85 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 96.1 mt -104.87 155.69 18.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.903 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.422 HG22 ' CG1' ' A' ' 67' ' ' VAL . 20.6 t -156.15 133.4 2.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.142 179.792 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -84.3 122.65 29.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.903 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 2.8 m -125.98 158.69 35.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.095 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.445 ' HB2' ' CD1' ' A' ' 44' ' ' ILE . 6.9 tp -117.24 120.13 37.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.917 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.436 ' O ' ' C ' ' A' ' 57' ' ' TYR . 24.4 mt -76.94 47.76 0.54 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.927 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.436 ' C ' ' O ' ' A' ' 56' ' ' LEU . 53.0 p90 -35.72 -35.26 0.06 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.931 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.407 ' N ' ' O ' ' A' ' 56' ' ' LEU . 1.1 t70 -51.36 -49.37 61.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.879 179.897 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 34.5 m -99.79 -44.52 11.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.148 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 115.55 44.01 0.67 Allowed Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.478 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 41.1 t -133.09 124.64 50.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.834 0.35 . . . . 0.0 111.117 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -91.88 118.93 31.19 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.877 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -150.52 173.25 14.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.917 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 4.1 p -129.08 128.99 67.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.126 179.842 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 6.3 m -122.03 171.85 10.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.092 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 11.6 t30 -81.8 136.6 35.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.857 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.422 ' CG1' HG22 ' A' ' 52' ' ' VAL . 24.9 m -50.51 -30.07 7.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.107 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 30.3 t0 -53.07 -39.16 63.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.868 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 21.7 m -84.78 -24.28 28.81 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.914 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 18.0 mt -63.79 133.1 52.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.884 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.444 ' NH2' ' O ' ' A' ' 16' ' ' LYS . 7.8 tpt85 -129.25 154.69 46.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.842 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 26.3 mtmm -71.67 141.81 49.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.892 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 2.5 tp -88.49 101.5 13.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.908 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 33.6 mm-40 -59.0 130.43 47.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.878 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -58.18 -29.34 65.56 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.927 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 62.1 t30 -66.31 -53.19 39.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.909 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 68.8 mt -62.51 -29.07 70.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.955 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 15.3 ttpp -68.74 -49.03 62.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.919 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 13.4 t -85.68 27.33 0.86 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.189 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 64.3 ttp -104.86 100.39 10.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.882 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 113.15 -157.11 15.16 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.508 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 3.9 ptm180 -172.07 158.14 4.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.898 0.38 . . . . 0.0 110.884 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.465 HD23 ' N ' ' A' ' 83' ' ' LEU . 3.8 mm? -84.68 159.79 20.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.939 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 89.2 p -104.72 84.26 2.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.839 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 23.8 tp . . . . . 0 C--N 1.327 -0.374 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.91 179.988 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 36.0 t -134.75 127.14 30.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.853 0.359 . . . . 0.0 110.891 -179.748 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.0 t -119.66 138.67 53.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.849 -179.829 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -104.48 159.34 16.16 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.463 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.7 t -129.92 -56.44 1.12 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.873 0.368 . . . . 0.0 110.801 -179.71 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 28.2 m -79.86 -55.4 5.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.856 -179.813 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.433 ' O ' ' C ' ' A' ' 8' ' ' MET . . . 78.79 -109.99 2.96 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.488 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.433 ' C ' ' O ' ' A' ' 7' ' ' GLY . 1.9 mtp -35.52 -75.43 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.741 0.305 . . . . 0.0 110.907 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 4.8 mp -40.31 -52.11 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.11 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -51.27 -59.65 3.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.121 179.821 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -51.19 -59.88 3.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.097 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.495 ' O ' ' N ' ' A' ' 15' ' ' SER . 23.6 m-85 -52.57 -68.57 0.16 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.953 -179.835 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.424 ' C ' ' O ' ' A' ' 12' ' ' TYR . 1.9 tp10 -36.03 -52.86 0.77 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.907 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 9.2 t-20 -64.98 -36.59 84.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.874 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.495 ' N ' ' O ' ' A' ' 12' ' ' TYR . 3.9 p -54.64 166.68 0.43 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.876 -179.839 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.0 ptpt -126.3 148.05 49.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.909 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . 0.473 ' CH2' ' HA ' ' A' ' 19' ' ' PRO . 67.9 t90 -49.93 147.48 3.86 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.946 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -142.74 140.49 18.48 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.614 0.721 . . . . 0.0 110.902 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.473 ' HA ' ' CH2' ' A' ' 17' ' ' TRP . 53.8 Cg_endo -69.79 96.93 0.61 Allowed 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.64 2.227 . . . . 0.0 112.354 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 2.4 p -130.73 134.73 61.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.119 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 15.4 ttmt -83.36 105.09 14.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.87 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . 0.421 ' CZ2' ' HB3' ' A' ' 70' ' ' LEU . 58.0 m95 -67.37 132.39 47.57 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.962 179.874 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -116.0 156.4 26.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.895 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 14.9 t-20 -59.44 148.45 32.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.872 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 17.1 t70 59.5 52.18 5.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.866 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 19.6 mmm -126.46 165.96 18.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.912 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 19.1 m170 -120.64 142.67 49.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.864 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.8 p -160.53 159.13 30.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.923 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.415 ' CB ' ' CZ ' ' A' ' 12' ' ' TYR . . . -94.95 129.74 41.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.135 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.43 HG21 ' N ' ' A' ' 31' ' ' LYS . 7.3 p -117.58 145.29 23.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.172 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.565 ' HB2' ' CZ2' ' A' ' 38' ' ' TRP . 25.7 ttpt -105.05 117.62 34.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.88 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.448 HG21 ' N ' ' A' ' 33' ' ' GLN . 48.4 mt -74.66 141.42 16.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.121 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.448 ' N ' HG21 ' A' ' 32' ' ' ILE . 6.7 pt20 -80.25 -54.41 5.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.891 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -56.74 -37.84 71.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.847 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 6.7 mmpt? -104.84 171.1 7.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.889 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 4.9 m120 -118.07 39.16 3.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.877 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -121.35 -176.18 3.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.904 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . 0.565 ' CZ2' ' HB2' ' A' ' 31' ' ' LYS . 43.2 m95 -136.07 125.77 25.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.903 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.443 ' CD ' HD13 ' A' ' 32' ' ' ILE . 5.4 ptp180 -134.15 130.59 37.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.878 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -74.53 153.2 39.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.86 -179.886 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -135.2 178.04 18.89 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.477 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.46 ' O ' ' N ' ' A' ' 44' ' ' ILE . 42.7 tt0 -115.92 115.49 26.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.794 0.331 . . . . 0.0 110.87 -179.865 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 35.3 mm -49.96 89.42 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.139 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.465 ' CD1' ' HB2' ' A' ' 55' ' ' LEU . 57.3 mt -65.61 -68.96 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.125 179.867 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 4.4 ptm180 -154.83 124.79 6.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.872 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 17.0 mtp -67.6 117.69 9.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.883 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 34.7 t -78.73 -62.34 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.161 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 37.8 p -134.03 -175.37 3.82 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.17 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -72.09 -9.53 58.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.885 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 25.1 p -125.63 -7.31 6.83 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.137 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 55.6 mt -122.74 151.28 41.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.878 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.441 HG22 ' CG1' ' A' ' 67' ' ' VAL . 56.7 t -155.32 130.63 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.1 179.803 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 13.7 tt0 -84.44 120.77 26.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.903 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 3.5 m -122.33 160.49 24.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.172 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.465 ' HB2' ' CD1' ' A' ' 44' ' ' ILE . 7.9 tp -119.8 120.3 36.1 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.913 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.424 ' O ' ' N ' ' A' ' 58' ' ' ASP . 41.9 mt -76.92 47.75 0.54 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.898 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.422 ' C ' ' O ' ' A' ' 56' ' ' LEU . 30.7 p90 -35.69 -34.68 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.927 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.424 ' N ' ' O ' ' A' ' 56' ' ' LEU . 4.9 t0 -52.53 -49.85 64.03 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.867 179.879 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 34.3 m -97.8 -44.14 12.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.146 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 113.73 47.42 0.62 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.479 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 42.8 t -137.1 126.5 36.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.751 0.31 . . . . 0.0 111.133 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -91.18 119.31 31.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.881 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -150.91 174.57 12.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.943 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 3.6 p -130.98 124.32 55.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.094 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.411 ' CG1' HG23 ' A' ' 30' ' ' VAL . 8.3 m -112.6 169.93 4.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.108 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 3.6 t30 -83.92 134.75 34.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.876 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.441 ' CG1' HG22 ' A' ' 52' ' ' VAL . 19.4 m -46.84 -20.35 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.178 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -64.22 -38.9 92.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.912 179.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 13.1 m -82.42 -24.94 34.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.856 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.421 ' HB3' ' CZ2' ' A' ' 22' ' ' TRP . 43.4 mt -64.25 137.02 57.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.891 -179.903 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 17.3 mmt85 -136.09 152.63 51.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.907 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 5.4 mmmm -71.35 119.56 15.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.903 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 5.8 tp -62.8 94.39 0.07 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.889 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -53.65 163.91 0.61 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.857 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -78.44 -49.89 12.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.854 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 12.3 m-20 -55.59 -52.53 63.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.886 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 69.7 mt -56.34 -35.65 67.86 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.882 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 5.1 mtpm? -62.42 -72.47 0.13 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.881 179.856 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -100.54 108.96 21.03 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.143 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 28.0 mtt -114.8 79.09 1.22 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.868 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 75.82 130.05 0.3 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.486 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 52.9 mtm180 -93.71 131.06 39.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.899 0.38 . . . . 0.0 110.904 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -81.32 173.27 12.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.881 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 90.9 p -101.21 80.53 2.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.858 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 12.0 mt . . . . . 0 C--N 1.328 -0.352 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.907 179.998 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 N-CA-C 112.517 -0.233 . . . . 0.0 112.517 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.0 m -75.82 176.2 8.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.869 0.366 . . . . 0.0 110.884 -179.751 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 48.9 m -86.24 120.25 27.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.898 -179.83 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.434 ' O ' ' C ' ' A' ' 5' ' ' SER . . . 149.8 127.77 1.55 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.477 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.434 ' C ' ' O ' ' A' ' 4' ' ' GLY . 5.4 t -35.63 132.4 0.45 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.851 0.357 . . . . 0.0 110.861 -179.746 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.9 m -97.98 93.54 6.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.864 -179.825 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -117.47 -46.37 0.49 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.494 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 7.4 mtp -59.55 -75.41 0.06 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.751 0.31 . . . . 0.0 110.891 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.486 ' CG2' ' OE2' ' A' ' 13' ' ' GLU . 5.3 mp -48.16 -48.66 12.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.163 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.26 -56.54 18.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.129 179.816 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -56.2 -58.35 8.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.075 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 46.8 m-85 -53.38 -39.5 64.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.914 -179.855 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.486 ' OE2' ' CG2' ' A' ' 9' ' ' ILE . 20.6 mt-10 -67.47 -41.24 84.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.857 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 39.7 t30 -63.78 -45.34 90.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.899 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 11.1 t -59.65 177.81 0.19 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 26.2 mtpt -129.51 -176.08 3.78 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.924 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 75.2 t90 -68.82 159.1 33.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.924 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.415 ' CD ' ' HD2' ' A' ' 19' ' ' PRO . 6.1 tp10 -164.7 137.83 3.87 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.617 0.722 . . . . 0.0 110.919 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.415 ' HD2' ' CD ' ' A' ' 18' ' ' GLU . 53.7 Cg_endo -69.76 98.3 0.68 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.66 2.24 . . . . 0.0 112.351 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 2.8 p -129.61 107.85 15.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.147 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 15.5 ttmt -60.44 113.47 2.43 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.876 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 83.1 m95 -77.25 114.88 16.54 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.885 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 54.9 mt-10 -89.32 159.21 17.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.865 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -66.81 149.62 50.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.892 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 59.27 50.21 8.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.851 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 13.5 mmm -120.92 167.74 12.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.851 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 67.6 m170 -118.0 132.8 56.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.822 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 4.2 p -152.55 170.28 20.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.931 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -110.92 113.9 26.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.089 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 1.3 p -90.4 142.32 13.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.148 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.563 ' HB2' ' CH2' ' A' ' 38' ' ' TRP . 24.2 tttp -97.07 126.01 41.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.94 179.895 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.451 HG22 ' CB ' ' A' ' 35' ' ' LYS . 11.2 mt -78.52 143.98 11.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.157 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 5.9 mm-40 -75.19 -75.23 0.18 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.919 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -60.53 -40.98 93.46 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.853 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.451 ' CB ' HG22 ' A' ' 32' ' ' ILE . 0.8 OUTLIER -83.98 150.36 25.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.906 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 48.8 m-20 -109.04 35.75 3.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.854 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 5.1 tt0 -122.2 133.4 54.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.926 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . 0.563 ' CH2' ' HB2' ' A' ' 31' ' ' LYS . 66.5 m95 -83.5 121.95 27.89 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.894 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.467 ' CZ ' ' HA ' ' A' ' 39' ' ' ARG . 1.0 OUTLIER -108.97 -176.34 3.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.841 -179.964 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 42.4 mtt180 -120.0 144.81 47.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.863 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -140.36 153.55 23.56 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.527 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.446 ' HB2' ' CD1' ' A' ' 57' ' ' TYR . 48.4 tt0 -106.74 115.94 31.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.77 0.319 . . . . 0.0 110.911 -179.866 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 48.3 mm -47.77 91.53 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.13 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.441 ' N ' ' O ' ' A' ' 42' ' ' GLN . 51.5 mt -70.17 -67.35 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.108 179.859 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 7.6 ptm180 -159.81 125.23 4.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.862 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 37.8 mtp -67.35 118.68 11.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.869 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 47.3 t -81.85 -70.15 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.156 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 59.1 p -117.4 -179.45 3.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.175 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -71.33 -8.4 53.45 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.902 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 38.6 p -125.98 -12.06 6.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.12 -179.872 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 24.0 mt -116.33 154.61 29.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.867 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 30.7 t -155.69 133.7 2.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.099 179.845 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -84.29 123.44 30.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.922 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 2.7 m -127.93 159.84 38.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.116 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 9.9 tp -119.06 121.64 40.29 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.932 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.488 ' O ' ' N ' ' A' ' 58' ' ' ASP . 28.8 mt -76.21 48.64 0.52 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.939 179.853 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.446 ' CD1' ' HB2' ' A' ' 42' ' ' GLN . 38.3 p90 -37.02 -29.09 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.919 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.488 ' N ' ' O ' ' A' ' 56' ' ' LEU . 6.9 t70 -57.77 -49.93 74.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.85 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 34.2 m -99.44 -42.11 10.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.131 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 111.86 48.87 0.65 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.471 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 40.3 t -136.67 124.83 34.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.798 0.333 . . . . 0.0 111.141 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -88.78 120.46 30.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.889 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.415 ' N ' HD23 ' A' ' 63' ' ' LEU . 0.9 OUTLIER -153.24 175.77 12.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.897 -179.948 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 2.7 p -133.98 124.59 47.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.126 179.834 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 4.0 m -114.4 177.31 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.109 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 4.5 t30 -89.88 138.96 31.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.844 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 15.3 m -52.81 -25.72 9.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.112 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -63.13 -27.96 69.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.878 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 17.5 m -97.66 -5.81 34.55 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.887 -179.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 22.1 mt -81.13 138.71 35.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.977 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.449 ' HG3' ' CZ3' ' A' ' 38' ' ' TRP . 4.2 mmp_? -124.75 156.29 37.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.873 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.05 121.92 31.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.894 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 1.5 tp -73.22 117.98 15.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.912 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -76.81 172.03 13.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.857 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 15.6 tt0 -80.8 -40.35 25.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.9 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -69.1 -55.02 11.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.906 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 32.7 mt -55.63 -31.14 62.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.913 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 6.3 ttpm? -76.12 -55.41 5.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.889 179.84 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 7.5 t -84.22 33.14 0.49 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.085 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 30.9 ttm -72.93 119.38 17.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.923 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 65.8 -110.22 3.35 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.474 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 47.5 ttp180 -135.99 164.69 27.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.857 0.36 . . . . 0.0 110.828 -179.852 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 1.8 pp -172.27 160.33 5.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.928 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 65.9 p -109.93 95.36 5.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.865 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 7.5 tp . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.886 -179.941 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.516 -0.233 . . . . 0.0 112.516 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.8 t -167.49 150.64 6.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.906 0.384 . . . . 0.0 110.852 -179.736 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 46.1 p -67.6 155.32 39.43 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.874 -179.854 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 73.08 131.65 0.17 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.44 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.3 m -114.67 91.21 3.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.86 0.362 . . . . 0.0 110.849 -179.744 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 69.0 m -60.7 -58.95 6.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.862 -179.82 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.438 ' O ' ' C ' ' A' ' 8' ' ' MET . . . 78.32 -114.49 3.96 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.522 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.438 ' C ' ' O ' ' A' ' 7' ' ' GLY . 2.1 mtp -34.92 -75.42 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.749 0.309 . . . . 0.0 110.894 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 4.5 mp -45.22 -48.41 3.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.116 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -50.28 -63.03 1.24 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.099 179.817 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -53.22 -60.21 3.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.069 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 30.4 m-85 -45.38 -42.14 9.83 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.927 -179.85 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 10.3 tm-20 -62.9 -54.81 32.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.875 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 14.6 t-20 -55.41 -48.86 73.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.891 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 5.8 t -58.83 120.99 10.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.869 -179.835 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 11.0 ptpt -79.24 145.83 33.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.903 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . 0.453 ' CH2' ' HA ' ' A' ' 19' ' ' PRO . 85.1 t90 -46.75 158.98 0.11 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.932 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -152.33 140.48 13.43 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.601 0.715 . . . . 0.0 110.912 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.453 ' HA ' ' CH2' ' A' ' 17' ' ' TRP . 53.8 Cg_endo -69.77 100.23 0.81 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.689 2.259 . . . . 0.0 112.315 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 2.1 p -133.44 127.48 53.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.144 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 19.0 tptt -76.06 110.94 10.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.88 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . 0.486 ' CZ3' ' HB3' ' A' ' 28' ' ' CYS . 95.6 m95 -72.71 139.64 47.34 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.917 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -117.95 151.72 36.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.913 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 7.3 t-20 -59.06 147.73 33.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.91 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 26.7 t70 63.27 49.33 3.31 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.814 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 31.7 mtp -125.32 166.81 15.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.875 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 14.2 m170 -119.0 147.3 44.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.865 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.486 ' HB3' ' CZ3' ' A' ' 22' ' ' TRP . 24.0 p -170.63 175.47 4.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.884 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -112.88 152.26 29.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.107 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.459 HG21 ' CG1' ' A' ' 65' ' ' VAL . 4.9 p -135.86 156.77 37.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.135 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.564 ' HB2' ' CZ2' ' A' ' 38' ' ' TRP . 23.2 ttpt -103.8 121.42 43.0 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.895 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 45.6 mt -70.69 138.8 21.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.143 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 30.0 mm-40 -74.66 -64.1 1.11 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.94 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -57.64 -40.41 79.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.858 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 8.0 mmmm -96.11 175.08 6.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.872 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 5.3 m-80 -119.9 29.56 7.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.907 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 43.9 mt-30 -109.99 -179.19 3.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.891 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . 0.564 ' CZ2' ' HB2' ' A' ' 31' ' ' LYS . 16.5 m95 -129.51 110.01 11.51 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.906 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 74.4 mtt180 -103.84 155.28 18.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.899 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 79.5 mtm180 -92.02 159.1 15.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -151.46 161.11 29.05 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.517 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.428 ' O ' ' N ' ' A' ' 44' ' ' ILE . 40.1 tt0 -109.38 116.88 32.67 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.756 0.312 . . . . 0.0 110.927 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 44.1 mm -45.04 93.76 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.138 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.428 ' N ' ' O ' ' A' ' 42' ' ' GLN . 47.1 mt -71.49 -65.09 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.136 179.858 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 4.5 ptm180 -161.53 126.44 3.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.837 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.445 ' HG2' ' CG2' ' A' ' 52' ' ' VAL . 35.8 mtp -68.99 125.17 25.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.913 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 61.2 t -90.52 -64.64 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.142 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 39.0 p -126.57 179.21 5.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.131 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -70.99 -9.35 57.85 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.901 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 17.6 p -126.15 -0.38 7.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.124 -179.863 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 28.0 mt -130.56 154.77 47.49 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.875 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.445 ' CG2' ' HG2' ' A' ' 46' ' ' MET . 38.3 t -158.09 134.65 2.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.148 179.801 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 15.1 tt0 -86.02 125.92 33.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.92 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 3.2 m -127.59 165.35 26.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.131 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.406 ' CD1' ' HG3' ' A' ' 62' ' ' GLU . 4.6 tp -121.04 120.41 35.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.889 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.49 ' O ' ' N ' ' A' ' 58' ' ' ASP . 19.0 mt -75.72 48.91 0.49 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.965 179.868 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.456 ' C ' ' O ' ' A' ' 56' ' ' LEU . 30.9 p90 -33.89 -34.19 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.908 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.49 ' N ' ' O ' ' A' ' 56' ' ' LEU . 5.9 p-10 -50.32 -51.12 48.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.86 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 34.2 m -100.92 -38.08 5.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.129 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 111.91 38.82 1.36 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.523 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 43.2 t -130.64 125.64 59.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.755 0.312 . . . . 0.0 111.121 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.406 ' HG3' ' CD1' ' A' ' 55' ' ' LEU . 3.7 mp0 -93.05 117.55 30.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.897 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -139.49 174.25 10.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.861 -179.924 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -125.44 123.63 65.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.126 179.839 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.459 ' CG1' HG21 ' A' ' 30' ' ' VAL . 13.1 m -117.99 165.88 12.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.109 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 4.1 t30 -79.7 133.52 36.36 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.926 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 16.1 m -50.91 -23.0 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.091 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.45 ' HA ' ' CD1' ' A' ' 17' ' ' TRP . 6.0 t70 -62.93 -34.08 76.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.904 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 4.6 m -85.6 -27.7 25.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.873 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 41.6 mt -57.75 144.73 37.18 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.888 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.539 ' HG3' ' CH2' ' A' ' 38' ' ' TRP . 5.5 mmm180 -140.34 138.28 34.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.876 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 8.6 mmtt -60.77 134.36 57.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.908 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 8.2 tp -75.14 104.46 5.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.901 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 26.4 mm-40 -83.61 138.02 33.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.915 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -51.53 -40.64 60.05 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.87 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 5.3 t-20 -47.88 -50.18 27.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.906 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 11.5 mt -99.13 27.82 4.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.937 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 1.2 tmtt? -112.55 -42.62 3.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.911 179.836 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 57.8 p -100.12 43.61 1.05 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.147 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 45.1 ttm -93.5 133.35 36.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.908 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 127.87 -140.84 12.11 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.494 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 52.2 mtp180 -141.2 112.04 7.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.808 0.337 . . . . 0.0 110.87 -179.849 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -77.38 152.82 34.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.871 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 58.2 m -96.19 83.21 3.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.833 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 11.7 mt . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.956 179.959 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.8 m 61.11 28.28 18.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.886 0.374 . . . . 0.0 110.876 -179.739 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 40.7 m 62.38 40.59 10.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.867 -179.802 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -133.28 -85.88 0.27 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.44 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.3 t -169.87 141.13 2.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.901 0.381 . . . . 0.0 110.829 -179.716 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.4 t -71.26 -70.11 0.33 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.839 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.442 ' O ' ' C ' ' A' ' 8' ' ' MET . . . 83.5 -106.5 2.83 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.49 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.442 ' C ' ' O ' ' A' ' 7' ' ' GLY . 3.7 mtp -35.05 -75.42 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.717 0.294 . . . . 0.0 110.88 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 5.2 mp -44.19 -48.25 2.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.185 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -50.69 -57.21 8.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.111 179.811 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -56.81 -59.69 4.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.1 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.534 ' CE1' ' OE2' ' A' ' 74' ' ' GLU . 44.0 m-85 -46.37 -51.72 14.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.914 -179.854 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.9 tm-20 -56.72 -50.21 72.87 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.89 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 38.6 m-20 -56.99 -41.67 78.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.938 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 6.4 t -65.71 151.07 47.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.849 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 58.1 mtmt -113.48 146.75 39.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.943 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 43.5 t90 -45.35 146.59 0.94 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.927 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -146.36 146.76 28.72 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-O 121.663 0.744 . . . . 0.0 110.851 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 95.85 0.57 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.661 2.24 . . . . 0.0 112.305 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 5.1 p -132.17 120.6 44.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.121 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 25.3 ttmt -67.29 118.84 11.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.879 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 66.2 m95 -80.92 121.33 25.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.925 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 67.6 mt-10 -102.96 159.18 15.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.881 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 7.1 m120 -64.88 149.76 48.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.883 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 22.3 t0 59.55 52.86 5.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.846 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 32.2 mtp -127.06 161.8 27.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.871 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 60.3 m170 -107.29 145.67 32.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.835 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 24.6 p -166.79 160.69 14.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.945 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -107.76 119.78 40.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.137 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.442 HG22 ' CG1' ' A' ' 65' ' ' VAL . 2.1 p -102.86 146.93 10.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.124 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.553 ' HB3' ' CH2' ' A' ' 38' ' ' TRP . 7.4 pttt -102.92 138.08 40.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.861 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.403 HG21 ' N ' ' A' ' 33' ' ' GLN . 13.7 mt -86.24 144.31 9.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.136 179.865 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.403 ' N ' HG21 ' A' ' 32' ' ' ILE . 9.2 pt20 -83.93 -43.89 14.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.9 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -73.48 -38.24 65.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.879 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 23.7 mmtt -104.42 171.02 7.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.898 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 1.4 p-10 -114.44 23.19 13.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.88 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 54.9 mt-30 -109.33 128.2 54.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.925 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . 0.553 ' CH2' ' HB3' ' A' ' 31' ' ' LYS . 36.5 m95 -79.28 121.07 24.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.888 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 7.1 mmt85 -109.02 160.65 15.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.876 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 52.1 mtm180 -93.96 156.46 16.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.929 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -152.49 152.04 23.79 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.5 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.474 ' O ' ' N ' ' A' ' 44' ' ' ILE . 34.8 tt0 -110.47 118.82 37.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.749 0.309 . . . . 0.0 110.93 -179.873 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 35.5 mm -45.5 91.19 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.175 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.474 ' N ' ' O ' ' A' ' 42' ' ' GLN . 46.4 mt -72.0 -65.64 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.139 179.845 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.445 ' O ' ' CG ' ' A' ' 45' ' ' ARG . 6.0 ptm180 -156.85 121.27 4.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.852 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.422 ' HE1' ' CG2' ' A' ' 52' ' ' VAL . 23.5 mtp -67.44 110.54 3.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.926 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 47.5 t -74.91 -68.28 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.155 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 14.5 p -125.18 173.92 8.43 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.135 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 32.3 m-20 -64.77 -9.14 18.18 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.912 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 9.4 p -121.12 -24.32 5.57 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.128 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 91.9 mt -109.34 151.88 26.01 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.937 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.422 ' CG2' ' HE1' ' A' ' 46' ' ' MET . 53.4 t -153.92 132.89 3.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.156 179.833 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 -84.31 124.34 31.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.875 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 2.4 m -127.43 160.13 36.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.136 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.439 ' HB2' ' CD1' ' A' ' 44' ' ' ILE . 8.0 tp -116.29 120.25 38.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.919 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.45 ' O ' ' C ' ' A' ' 57' ' ' TYR . 33.1 mt -76.04 48.54 0.5 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.977 179.853 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.45 ' C ' ' O ' ' A' ' 56' ' ' LEU . 43.5 p90 -34.61 -36.0 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.88 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.426 ' N ' ' O ' ' A' ' 56' ' ' LEU . 29.5 t70 -51.59 -52.24 49.03 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.897 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 33.9 m -96.58 -44.78 12.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.156 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 114.4 46.62 0.62 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.485 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 41.1 t -135.27 127.66 47.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.815 0.34 . . . . 0.0 111.099 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -92.45 119.08 31.61 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.871 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -151.24 170.95 18.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.943 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.415 HG23 ' C ' ' A' ' 52' ' ' VAL . 3.8 p -124.82 128.86 73.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.162 179.819 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.442 ' CG1' HG22 ' A' ' 30' ' ' VAL . 17.4 m -121.66 167.9 14.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.161 179.905 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 5.6 t30 -79.39 135.76 36.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.863 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 5.5 m -44.84 -30.59 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.086 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -55.02 -40.37 70.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.871 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 69.3 m -78.15 -34.39 49.79 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.871 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 78.1 mt -59.37 141.48 54.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.893 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.461 ' CZ ' ' HA ' ' A' ' 71' ' ' ARG . 1.4 mmp_? -141.67 144.01 33.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.841 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 33.5 mtpt -64.12 122.12 15.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.924 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.447 ' CD2' ' HD3' ' A' ' 78' ' ' LYS . 6.6 tp -70.48 97.45 1.3 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.88 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.534 ' OE2' ' CE1' ' A' ' 12' ' ' TYR . 1.2 pm0 -64.94 138.03 58.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.916 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -65.22 -25.57 67.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.907 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -62.25 -55.77 25.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.877 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.492 ' CD1' ' CD ' ' A' ' 74' ' ' GLU . 78.4 mt -69.92 -13.9 62.47 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.908 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.447 ' HD3' ' CD2' ' A' ' 73' ' ' LEU . 23.8 mtmt -72.64 -58.79 3.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.926 179.809 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 16.3 p -104.29 104.95 14.93 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.127 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 4.9 ptp -154.32 168.19 27.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.883 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 67.46 -102.24 0.79 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.48 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 35.7 mtm-85 -99.3 158.5 15.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.857 0.36 . . . . 0.0 110.863 -179.854 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 10.0 mp -93.1 157.01 16.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.949 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 54.7 p -137.5 110.75 7.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.841 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.899 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 2.8 mtp . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.751 0.31 . . . . 0.0 110.917 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.794 ' H ' HD12 ' A' ' 9' ' ' ILE . 4.9 mp -49.85 -42.95 19.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.13 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -56.2 -62.89 1.4 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.118 179.78 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -55.41 -56.17 23.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.088 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 0.551 ' CE2' HD13 ' A' ' 77' ' ' LEU . 40.9 m-85 -52.13 -64.0 0.96 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.974 -179.896 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -43.6 -59.53 2.15 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.879 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 17.4 m-20 -53.2 -43.51 67.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.881 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.418 ' C ' ' HD2' ' A' ' 16' ' ' LYS . 1.9 m -67.7 169.31 9.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.843 -179.834 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.418 ' HD2' ' C ' ' A' ' 15' ' ' SER . 0.1 OUTLIER -127.31 149.51 50.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.884 179.937 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 17' ' ' TRP . . . . . 0.515 ' CH2' ' HA ' ' A' ' 19' ' ' PRO . 73.1 t90 -42.31 151.33 0.11 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.906 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -139.93 143.89 36.24 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.642 0.734 . . . . 0.0 110.921 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.515 ' HA ' ' CH2' ' A' ' 17' ' ' TRP . 54.0 Cg_endo -69.72 101.27 0.89 Allowed 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.677 2.251 . . . . 0.0 112.368 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.428 HG21 ' HD3' ' A' ' 72' ' ' LYS . 2.6 p -138.68 140.46 39.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.087 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 20.9 ttmt -81.85 120.03 24.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.908 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' TRP . . . . . 0.422 ' CZ3' ' HB3' ' A' ' 28' ' ' CYS . 87.9 m95 -85.32 124.76 32.31 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.882 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.479 ' O ' HG21 ' A' ' 43' ' ' ILE . 5.6 mm-40 -107.45 161.86 14.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.938 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 5.6 t-20 -66.58 147.85 52.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.86 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 35.0 t70 60.71 52.4 4.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.868 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 30.8 mtp -126.23 161.44 27.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.883 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.415 ' HB3' HD22 ' A' ' 73' ' ' LEU . 5.6 m170 -110.65 143.5 41.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.849 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.422 ' HB3' ' CZ3' ' A' ' 22' ' ' TRP . 27.9 p -163.19 175.69 10.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.872 -179.9 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -122.07 126.19 47.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.092 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.763 HG21 HG11 ' A' ' 65' ' ' VAL . 1.2 p -99.36 146.43 8.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.149 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.568 ' HB2' ' CH2' ' A' ' 38' ' ' TRP . 60.2 tttt -103.29 117.95 35.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.877 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 23.9 mt -77.25 151.54 5.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.094 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 49.9 mt-30 -89.85 -71.16 0.63 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.897 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -49.55 -28.72 5.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.896 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 53.0 mmtt -111.64 170.16 8.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.973 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -121.14 33.34 5.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.911 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 10.7 tm0? -116.69 134.86 54.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.912 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' TRP . . . . . 0.568 ' CH2' ' HB2' ' A' ' 31' ' ' LYS . 59.0 m95 -88.04 115.13 25.29 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.945 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 85.6 mtt180 -103.51 151.27 23.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.859 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.555 ' CZ ' HD11 ' A' ' 73' ' ' LEU . 46.6 mtt180 -92.49 140.2 29.81 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.883 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -134.28 162.8 24.61 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.486 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.402 ' O ' ' N ' ' A' ' 44' ' ' ILE . 31.4 tt0 -115.89 117.96 31.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.819 0.342 . . . . 0.0 110.914 -179.865 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.479 HG21 ' O ' ' A' ' 23' ' ' GLU . 51.2 mm -47.52 94.11 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.162 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.835 HD11 ' HB2' ' A' ' 55' ' ' LEU . 38.6 mt -72.71 -65.77 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.099 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 19.9 ptt180 -159.37 128.08 5.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.837 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.515 ' HG2' HG22 ' A' ' 52' ' ' VAL . 18.1 mtp -68.7 120.55 14.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.889 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.509 HG12 HG23 ' A' ' 48' ' ' THR . 40.5 t -84.63 -61.11 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.149 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.509 HG23 HG12 ' A' ' 47' ' ' VAL . 5.3 p -133.89 -177.75 4.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.129 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -69.88 -2.86 13.52 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.863 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.496 ' O ' HG22 ' A' ' 67' ' ' VAL . 13.5 p -129.92 -31.04 1.97 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.198 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.461 HD23 ' OD1' ' A' ' 66' ' ' ASN . 84.9 mt -96.85 151.79 19.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.902 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.777 ' O ' HG23 ' A' ' 64' ' ' VAL . 20.3 t -153.74 130.86 2.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.153 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 13.3 tt0 -84.22 123.85 30.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.903 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 2.7 m -128.99 163.15 34.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.117 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.835 ' HB2' HD11 ' A' ' 44' ' ' ILE . 6.4 tp -120.5 126.5 50.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.925 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.535 ' N ' HD12 ' A' ' 55' ' ' LEU . 35.5 mt -81.94 48.88 1.28 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.893 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.432 ' C ' ' O ' ' A' ' 56' ' ' LEU . 37.2 p90 -36.04 -33.91 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.94 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.434 ' N ' ' O ' ' A' ' 56' ' ' LEU . 10.1 t0 -52.82 -49.26 66.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.871 179.868 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.495 HG23 ' N ' ' A' ' 60' ' ' GLY . 34.1 m -100.2 -44.41 11.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.09 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' GLY . . . . . 0.495 ' N ' HG23 ' A' ' 59' ' ' VAL . . . 113.97 46.82 0.64 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.488 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 38.9 t -134.41 126.11 48.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.775 0.322 . . . . 0.0 111.167 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -90.59 119.99 31.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.941 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -152.11 176.18 11.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.913 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.777 HG23 ' O ' ' A' ' 52' ' ' VAL . 3.1 p -132.84 124.94 51.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.118 179.838 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.763 HG11 HG21 ' A' ' 30' ' ' VAL . 7.2 m -114.02 176.66 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.122 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' ASN . . . . . 0.461 ' OD1' HD23 ' A' ' 51' ' ' LEU . 21.5 t30 -91.43 141.05 29.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.858 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.496 HG22 ' O ' ' A' ' 50' ' ' THR . 27.8 m -57.01 -19.35 9.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.125 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.412 ' OD1' ' ND2' ' A' ' 66' ' ' ASN . 3.1 m-20 -66.55 -27.84 68.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.885 179.882 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 4.9 m -98.19 -17.03 19.23 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.897 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 25.8 mt -69.94 151.34 45.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.914 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 22.0 mmm180 -145.78 145.1 30.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.879 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.428 ' HD3' HG21 ' A' ' 20' ' ' VAL . 17.2 mmmt -69.01 135.5 50.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.907 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.555 HD11 ' CZ ' ' A' ' 40' ' ' ARG . 8.0 tp -73.46 99.08 2.9 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.875 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 37.5 mm-40 -65.09 136.47 56.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.914 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -54.69 -52.05 63.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.866 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -44.5 -52.52 7.86 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.89 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.551 HD13 ' CE2' ' A' ' 12' ' ' TYR . 74.5 mt . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.917 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 2.7 mtp . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.785 0.326 . . . . 0.0 110.919 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.784 ' H ' HD12 ' A' ' 9' ' ' ILE . 4.9 mp -46.6 -45.18 6.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.169 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -52.39 -61.03 2.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.143 179.77 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -59.82 -63.45 1.3 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.076 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 32.4 m-85 -41.99 -48.92 4.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.985 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -61.0 -47.18 87.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.908 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -57.43 -40.84 79.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.922 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 6.4 t -66.09 174.24 2.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.877 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.452 ' N ' ' HD2' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -136.96 152.06 49.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.909 179.925 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 17' ' ' TRP . . . . . 0.513 ' CD1' ' HA ' ' A' ' 68' ' ' ASP . 67.9 t90 -38.4 150.16 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.921 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -147.73 143.89 18.47 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.652 0.739 . . . . 0.0 110.884 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 99.56 0.75 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.701 2.268 . . . . 0.0 112.327 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.415 HG21 ' HD2' ' A' ' 72' ' ' LYS . 6.9 p -136.11 138.44 47.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.145 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 21.2 ttmm -81.17 110.94 17.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.908 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' TRP . . . . . 0.536 ' CZ3' ' HB3' ' A' ' 28' ' ' CYS . 74.0 m95 -77.62 113.42 15.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.879 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 80.4 mt-10 -99.77 161.19 13.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.858 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 -65.49 148.87 50.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.898 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 6.4 t70 58.12 50.26 10.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.903 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 23.8 mmm -117.91 171.84 7.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.892 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.431 ' HB3' HD22 ' A' ' 73' ' ' LEU . 7.1 m170 -116.17 135.94 53.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.83 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.536 ' HB3' ' CZ3' ' A' ' 22' ' ' TRP . 25.9 p -158.72 162.83 37.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.865 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -113.39 115.15 27.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.101 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.88 HG21 HG11 ' A' ' 65' ' ' VAL . 8.7 p -90.17 155.31 3.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.125 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.553 ' HB2' ' CH2' ' A' ' 38' ' ' TRP . 7.7 ttpm? -113.87 123.69 50.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.863 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.828 HD12 ' CG ' ' A' ' 37' ' ' GLN . 69.2 mt -72.25 140.33 18.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.142 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 4.4 mm100 -79.81 -50.45 10.51 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.877 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -61.11 -51.05 70.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.873 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.55 ' H ' HG22 ' A' ' 32' ' ' ILE . 4.1 mptp? -95.05 179.11 5.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.901 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ASN . . . . . 0.466 ' O ' ' ND2' ' A' ' 36' ' ' ASN . 0.2 OUTLIER -118.69 39.35 3.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.889 179.932 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.828 ' CG ' HD12 ' A' ' 32' ' ' ILE . 10.2 pt20 -113.89 -179.01 3.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.888 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' TRP . . . . . 0.553 ' CH2' ' HB2' ' A' ' 31' ' ' LYS . 71.3 m95 -130.87 115.17 16.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.947 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.694 ' O ' HG12 ' A' ' 30' ' ' VAL . 21.2 mmt180 -104.24 141.61 35.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.84 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 70.8 mtt180 -76.67 146.83 37.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.896 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -145.0 152.6 24.63 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.474 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.495 ' O ' ' N ' ' A' ' 44' ' ' ILE . 50.3 tt0 -113.81 117.31 31.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.811 0.338 . . . . 0.0 110.938 -179.902 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 40.5 mm -44.63 90.51 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.101 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.865 HD11 ' HB2' ' A' ' 55' ' ' LEU . 41.3 mt -71.08 -65.99 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.102 179.821 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.406 ' O ' ' CG ' ' A' ' 45' ' ' ARG . 23.7 ptt180 -156.84 122.42 4.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.855 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.535 ' HG2' HG22 ' A' ' 52' ' ' VAL . 29.5 mtp -67.46 112.63 4.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.864 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.6 HG12 HG23 ' A' ' 48' ' ' THR . 36.0 t -75.46 -66.22 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.161 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.6 HG23 HG12 ' A' ' 47' ' ' VAL . 47.5 p -128.12 -176.21 3.73 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.113 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -71.77 -8.44 54.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.862 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 45.0 p -124.46 -20.82 5.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.123 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 85.9 mt -109.69 150.91 27.59 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.911 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.79 ' O ' HG23 ' A' ' 64' ' ' VAL . 49.0 t -155.49 132.06 2.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.133 179.834 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 9.7 tt0 -84.74 125.28 32.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.925 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 3.6 m -126.85 156.36 38.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.084 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.865 ' HB2' HD11 ' A' ' 44' ' ' ILE . 10.0 tp -112.59 120.36 41.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.891 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.456 ' O ' ' C ' ' A' ' 57' ' ' TYR . 40.4 mt -77.11 48.75 0.63 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.907 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.456 ' C ' ' O ' ' A' ' 56' ' ' LEU . 44.3 p90 -34.12 -37.06 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.92 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.44 ' OD1' ' C ' ' A' ' 56' ' ' LEU . 11.3 p-10 -48.99 -55.72 11.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.9 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.477 HG23 ' N ' ' A' ' 60' ' ' GLY . 34.5 m -95.15 -43.4 12.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.112 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' GLY . . . . . 0.477 ' N ' HG23 ' A' ' 59' ' ' VAL . . . 111.99 52.58 0.53 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.536 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 41.2 t -139.43 125.63 23.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.797 0.332 . . . . 0.0 111.098 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -88.42 120.69 30.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.887 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.415 HD22 ' HG ' ' A' ' 56' ' ' LEU . 0.8 OUTLIER -151.55 175.6 12.16 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.89 -179.964 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.79 HG23 ' O ' ' A' ' 52' ' ' VAL . 3.6 p -133.17 130.02 57.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.089 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.88 HG11 HG21 ' A' ' 30' ' ' VAL . 6.9 m -121.76 174.67 5.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.074 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' ASN . . . . . 0.426 ' ND2' ' OD2' ' A' ' 68' ' ' ASP . 3.8 t30 -86.98 137.05 32.68 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.871 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 16.4 m -53.49 -37.15 29.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.098 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.513 ' HA ' ' CD1' ' A' ' 17' ' ' TRP . 0.3 OUTLIER -54.8 -17.96 4.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.873 179.918 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 6.5 m -103.26 -23.25 13.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.869 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 48.9 mt -65.1 162.98 15.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.898 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 23.9 mtp85 -158.44 143.83 16.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.822 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.415 ' HD2' HG21 ' A' ' 20' ' ' VAL . 42.6 mtpt -66.02 126.51 28.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.905 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.431 HD22 ' HB3' ' A' ' 27' ' ' HIS . 3.4 tp -65.3 106.01 1.26 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.861 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -58.16 145.31 37.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.843 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 20.5 pt-20 -69.77 -43.39 72.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.922 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 39.1 m-20 -57.55 -53.1 62.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.886 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 23.7 mt . . . . . 0 C--N 1.328 -0.352 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.95 179.935 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 8' ' ' MET . . . . . 0.72 ' HA ' HD13 ' A' ' 77' ' ' LEU . 1.6 mtp . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.768 0.318 . . . . 0.0 110.914 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.766 ' H ' HD12 ' A' ' 9' ' ' ILE . 4.3 mp -46.72 -41.53 5.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.167 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -54.88 -63.7 1.07 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.089 179.797 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.648 ' HB3' HD11 ' A' ' 77' ' ' LEU . . . -55.3 -54.86 38.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.109 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 24.7 m-85 -51.37 -44.62 62.16 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.868 -179.815 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -64.88 -55.57 18.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.837 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 8.1 t-20 -53.22 -58.15 8.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.919 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 6.8 t -40.92 157.89 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.878 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 14.9 ptpt -112.29 169.79 8.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.876 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 46.2 t90 -65.77 127.55 32.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.918 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -130.66 141.48 42.11 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.612 0.72 . . . . 0.0 110.93 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.7 101.2 0.87 Allowed 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.711 2.274 . . . . 0.0 112.353 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.436 HG21 ' HD3' ' A' ' 72' ' ' LYS . 3.5 p -131.48 132.05 62.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.122 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -80.11 119.2 22.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.94 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' TRP . . . . . 0.521 ' CZ3' ' HB3' ' A' ' 28' ' ' CYS . 63.1 m95 -83.79 101.08 11.35 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.887 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.497 ' O ' HG21 ' A' ' 43' ' ' ILE . 41.3 mt-10 -82.79 160.68 22.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.903 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 12.6 m120 -66.65 153.03 44.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.918 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 55.5 m-20 59.22 48.97 9.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.89 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 26.6 mtp -122.05 168.17 12.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.873 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 65.3 m170 -123.84 138.26 54.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.882 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.521 ' HB3' ' CZ3' ' A' ' 22' ' ' TRP . 24.4 p -156.1 166.12 34.39 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.889 -179.911 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -105.6 113.54 27.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.082 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.76 HG21 HG11 ' A' ' 65' ' ' VAL . 7.4 p -95.5 155.61 3.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.166 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.534 ' HB2' ' CH2' ' A' ' 38' ' ' TRP . 18.4 ttpt -113.68 134.07 54.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.928 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.419 HG22 ' H ' ' A' ' 35' ' ' LYS . 20.3 mt -85.22 144.5 9.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.151 179.88 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -80.03 -61.36 2.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.883 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -58.34 -48.96 78.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.867 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.419 ' H ' HG22 ' A' ' 32' ' ' ILE . 11.2 mmtp -90.28 173.69 8.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.856 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 7.6 m120 -123.19 40.65 3.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.924 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 39.7 mt-30 -120.14 126.98 52.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.912 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' TRP . . . . . 0.534 ' CH2' ' HB2' ' A' ' 31' ' ' LYS . 42.0 m95 -82.52 108.62 16.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.948 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.447 ' CZ ' HG11 ' A' ' 59' ' ' VAL . 98.2 mtt180 -103.43 179.31 4.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.828 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -113.83 160.33 18.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.896 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -150.7 158.73 27.81 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.52 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.441 ' O ' ' N ' ' A' ' 44' ' ' ILE . 46.3 tt0 -108.25 121.35 44.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.791 0.329 . . . . 0.0 110.925 -179.9 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.497 HG21 ' O ' ' A' ' 23' ' ' GLU . 49.9 mm -51.24 89.08 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.162 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.951 HD11 ' HB2' ' A' ' 55' ' ' LEU . 52.9 mt -68.1 -69.58 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.176 179.864 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 9.4 ptp180 -155.05 124.57 6.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.866 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.463 ' HG2' HG22 ' A' ' 52' ' ' VAL . 30.2 mtp -67.15 115.43 6.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.883 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 38.6 t -78.08 -63.65 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.149 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.2 p -131.05 -178.21 4.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.157 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -68.71 -11.54 60.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.883 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.542 ' O ' HG22 ' A' ' 67' ' ' VAL . 69.4 p -121.14 -28.36 4.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.151 -179.86 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 77.1 mt -101.81 150.47 23.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.933 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.812 ' O ' HG23 ' A' ' 64' ' ' VAL . 25.2 t -152.92 132.42 3.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.151 179.846 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -84.24 122.06 28.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.907 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 2.6 m -127.01 157.2 38.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.142 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.951 ' HB2' HD11 ' A' ' 44' ' ' ILE . 10.2 tp -116.07 122.53 45.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.938 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.425 ' O ' ' C ' ' A' ' 57' ' ' TYR . 41.0 mt -78.49 49.39 0.86 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.924 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.425 ' C ' ' O ' ' A' ' 56' ' ' LEU . 40.4 p90 -35.96 -36.46 0.09 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.932 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -49.68 -49.83 45.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.908 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.51 HG23 ' N ' ' A' ' 60' ' ' GLY . 34.0 m -99.63 -44.98 11.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.095 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' GLY . . . . . 0.51 ' N ' HG23 ' A' ' 59' ' ' VAL . . . 114.04 49.99 0.52 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.466 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 42.1 t -137.31 125.11 31.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.808 0.337 . . . . 0.0 111.102 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -89.35 120.3 30.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.825 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -153.41 175.18 13.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.884 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.812 HG23 ' O ' ' A' ' 52' ' ' VAL . 3.2 p -132.72 127.07 55.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.126 179.831 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.76 HG11 HG21 ' A' ' 30' ' ' VAL . 10.7 m -117.44 170.16 7.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.128 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 31.5 t30 -84.7 131.28 34.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.946 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.542 HG22 ' O ' ' A' ' 50' ' ' THR . 25.7 m -46.73 -20.97 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.138 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -61.22 -38.76 87.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.878 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 4.1 m -87.35 -16.58 34.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.901 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.474 ' HB3' ' CZ2' ' A' ' 22' ' ' TRP . 19.4 mt -69.54 139.23 53.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.905 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 12.5 mmp_? -135.71 143.3 45.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.869 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.436 ' HD3' HG21 ' A' ' 20' ' ' VAL . 15.3 mtmm -69.1 124.12 22.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.906 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 7.4 tp -62.45 93.47 0.05 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.913 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -56.68 141.18 44.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.862 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 21.0 tt0 -68.01 -46.56 70.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.897 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -54.04 -36.21 62.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.886 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.72 HD13 ' HA ' ' A' ' 8' ' ' MET . 96.8 mt . . . . . 0 C--N 1.328 -0.368 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.966 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 3.0 mtp . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.765 0.317 . . . . 0.0 110.84 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.735 ' H ' HD12 ' A' ' 9' ' ' ILE . 5.3 mp -42.93 -45.17 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.185 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -53.84 -59.42 4.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.098 179.765 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.43 ' HB3' HD11 ' A' ' 77' ' ' LEU . . . -56.96 -58.52 7.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.106 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 0.453 ' HB3' ' CE2' ' A' ' 38' ' ' TRP . 37.8 m-85 -49.79 -62.95 1.27 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.896 -179.815 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -47.08 -43.96 20.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.896 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 28.2 m-20 -68.47 -23.9 64.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.846 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.1 m -79.01 -179.05 6.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.849 -179.846 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.418 ' HA ' ' NZ ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -141.22 159.51 42.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.925 179.955 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 44.9 t90 -56.74 138.63 52.66 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.94 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -135.03 144.22 49.33 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.643 0.735 . . . . 0.0 110.863 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 90.97 0.51 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.72 2.28 . . . . 0.0 112.36 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.448 HG11 ' HG3' ' A' ' 72' ' ' LYS . 7.4 p -122.16 138.56 51.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.142 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.1 ttmp? -86.53 109.26 18.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.91 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' TRP . . . . . 0.456 ' CD1' HG12 ' A' ' 67' ' ' VAL . 50.2 m95 -72.32 102.63 3.17 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.886 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.835 ' O ' HG21 ' A' ' 43' ' ' ILE . 18.3 mt-10 -86.95 177.66 7.18 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.923 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 29.3 m120 -79.69 147.47 31.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.918 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 38.6 t70 57.98 49.69 11.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.885 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 31.4 mtp -122.72 162.2 22.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.903 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 16.1 m170 -112.13 132.7 54.71 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.885 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.44 ' HB3' ' CZ3' ' A' ' 22' ' ' TRP . 24.4 p -149.41 165.74 31.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.873 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -105.4 132.85 51.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.124 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 1.8 p -107.12 130.09 59.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.106 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 13.8 tttm -101.44 126.86 48.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.864 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.57 HD11 ' NE ' ' A' ' 39' ' ' ARG . 13.6 mt -82.59 151.64 4.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.094 179.883 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 21.9 pt20 -96.39 -52.76 3.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.917 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -57.56 -17.96 16.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.841 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 21.3 mmmt -127.77 -177.98 4.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.914 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 59.0 t30 -123.99 36.87 4.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.84 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 43.3 mt-30 -117.65 151.37 37.35 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.924 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' TRP . . . . . 0.453 ' CE2' ' HB3' ' A' ' 12' ' ' TYR . 29.3 m95 -103.82 127.79 51.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.896 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.57 ' NE ' HD11 ' A' ' 32' ' ' ILE . 54.6 mtm180 -115.66 175.49 5.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.859 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 61.3 mtm180 -123.65 153.92 40.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.865 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -152.82 157.67 27.43 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.46 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.408 ' O ' ' N ' ' A' ' 44' ' ' ILE . 57.9 tt0 -108.94 114.42 28.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.78 0.324 . . . . 0.0 110.924 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.835 HG21 ' O ' ' A' ' 23' ' ' GLU . 50.1 mm -41.33 96.47 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.16 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.882 HD11 ' HB2' ' A' ' 55' ' ' LEU . 53.3 mt -74.83 -67.65 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.119 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 8.0 ptm180 -155.72 125.55 6.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.858 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.555 ' HG2' HG22 ' A' ' 52' ' ' VAL . 16.4 mtp -69.09 115.89 8.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.837 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.609 HG12 HG23 ' A' ' 48' ' ' THR . 45.9 t -80.38 -72.42 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.139 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.609 HG23 HG12 ' A' ' 47' ' ' VAL . 78.2 p -119.82 -177.37 3.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.169 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -71.4 -7.06 44.83 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.826 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.455 ' O ' HG22 ' A' ' 67' ' ' VAL . 46.3 p -125.01 -27.85 3.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.089 -179.842 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 30.7 mt -101.4 152.22 20.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.895 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.776 ' C ' HG23 ' A' ' 64' ' ' VAL . 20.2 t -154.08 133.01 3.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.097 179.844 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 9.1 tt0 -84.32 123.71 30.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.888 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 2.0 m -127.88 159.71 38.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.158 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.882 ' HB2' HD11 ' A' ' 44' ' ' ILE . 6.8 tp -116.46 120.68 39.55 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.861 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.534 HD12 ' HB ' ' A' ' 61' ' ' VAL . 37.0 mt -75.92 51.0 0.62 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.921 179.856 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 30.8 p90 -38.38 -31.12 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.871 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.408 ' N ' ' O ' ' A' ' 56' ' ' LEU . 8.6 p-10 -55.03 -48.01 73.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.852 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.496 HG23 ' N ' ' A' ' 60' ' ' GLY . 27.7 m -102.99 -45.1 10.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.181 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' GLY . . . . . 0.496 ' N ' HG23 ' A' ' 59' ' ' VAL . . . 115.65 48.79 0.49 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.493 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.534 ' HB ' HD12 ' A' ' 56' ' ' LEU . 39.2 t -136.58 124.7 34.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.786 0.327 . . . . 0.0 111.152 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 51.3 mt-10 -89.22 120.62 30.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.864 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -151.95 174.4 13.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.922 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.776 HG23 ' C ' ' A' ' 52' ' ' VAL . 3.7 p -130.62 127.67 62.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.126 179.805 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 4.1 m -119.65 172.21 7.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.108 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 14.3 t30 -86.5 131.7 34.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.93 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.487 ' HA ' HD12 ' A' ' 70' ' ' LEU . 19.6 m -45.92 -25.77 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.154 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -57.86 -39.94 78.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.852 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 3.5 m -82.98 -29.08 29.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.872 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.487 HD12 ' HA ' ' A' ' 67' ' ' VAL . 71.7 mt -61.8 145.23 53.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.871 -179.883 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 7.8 tpp180 -136.54 148.84 47.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.858 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.448 ' HG3' HG11 ' A' ' 20' ' ' VAL . 12.7 mtpt -68.0 137.22 54.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.926 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.446 HD12 ' OH ' ' A' ' 12' ' ' TYR . 3.0 tp -85.23 97.96 10.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.928 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -60.62 156.26 17.0 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.925 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 -72.67 -39.18 67.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.896 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -51.16 -36.66 42.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.903 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.43 HD11 ' HB3' ' A' ' 11' ' ' ALA . 92.2 mt . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.875 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.9 mtp . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.796 0.331 . . . . 0.0 110.882 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.794 ' H ' HD12 ' A' ' 9' ' ' ILE . 4.9 mp -43.68 -56.92 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.14 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.436 ' O ' ' CB ' ' A' ' 14' ' ' ASN . . . -46.07 -51.67 13.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.063 179.821 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -57.35 -60.26 3.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.146 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 0.63 ' CZ ' HD13 ' A' ' 77' ' ' LEU . 25.2 m-85 -53.22 -66.15 0.44 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.891 -179.88 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -49.22 -33.12 11.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.864 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ASN . . . . . 0.436 ' CB ' ' O ' ' A' ' 10' ' ' ALA . 6.5 t-20 -72.17 -36.22 69.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.845 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.4 t -80.59 176.5 9.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 27.1 mtmt -121.04 173.17 7.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.917 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' TRP . . . . . 0.493 ' CH2' ' HA ' ' A' ' 19' ' ' PRO . 89.4 t90 -60.36 157.41 13.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.854 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.427 ' CD ' ' HD2' ' A' ' 19' ' ' PRO . 7.8 tp10 -147.96 137.64 12.29 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.657 0.742 . . . . 0.0 110.923 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.493 ' HA ' ' CH2' ' A' ' 17' ' ' TRP . 53.9 Cg_endo -69.76 92.38 0.51 Allowed 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.683 2.255 . . . . 0.0 112.328 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 2.5 p -129.76 126.49 62.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.135 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 9.9 tptp -73.25 112.79 9.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.871 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 58.0 m95 -75.43 117.71 17.51 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.906 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 66.5 mt-10 -108.04 151.42 25.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.869 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -56.64 161.22 2.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.907 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 26.6 t0 53.71 49.78 18.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.885 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 33.9 mtp -127.51 165.41 19.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.886 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 7.7 m170 -120.27 132.9 55.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.862 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 6.1 p -151.35 168.3 25.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.895 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -109.14 116.84 32.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.143 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.93 HG21 HG11 ' A' ' 65' ' ' VAL . 4.4 p -95.28 148.75 4.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.141 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.436 ' HB2' ' CH2' ' A' ' 38' ' ' TRP . 31.8 ttpt -106.33 130.1 54.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.872 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 41.0 mt -93.92 136.95 23.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.141 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 11.9 mm100 -75.74 -67.28 0.68 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.927 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 36.0 m-20 -45.33 -44.63 11.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.85 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 2.5 mppt? -97.1 173.21 7.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.857 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 14.1 t30 -122.12 31.6 6.13 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.864 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 4.8 pt20 -120.23 135.96 54.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.932 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' TRP . . . . . 0.436 ' CH2' ' HB2' ' A' ' 31' ' ' LYS . 25.0 m95 -87.52 118.84 27.26 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.903 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.414 ' CZ ' HD13 ' A' ' 56' ' ' LEU . 22.4 mtm180 -107.52 165.76 11.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.902 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 56.9 mtm180 -105.52 151.71 23.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.848 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -147.88 160.08 28.22 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.479 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 34.1 tt0 -110.32 123.26 49.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.787 0.327 . . . . 0.0 110.923 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 45.0 mm -52.05 94.1 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.084 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.837 HD11 ' HB2' ' A' ' 55' ' ' LEU . 46.5 mt -72.15 -68.13 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.115 179.835 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 17.1 ptt180 -155.42 125.83 6.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.85 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.411 ' HG2' HG22 ' A' ' 52' ' ' VAL . 47.3 mtp -68.78 119.83 13.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.885 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.721 HG12 HG23 ' A' ' 48' ' ' THR . 57.6 t -82.72 -65.43 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.132 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.721 HG23 HG12 ' A' ' 47' ' ' VAL . 73.2 p -126.89 -179.16 4.69 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.143 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 33.8 m-20 -70.05 -4.2 19.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.877 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.481 ' O ' HG22 ' A' ' 67' ' ' VAL . 45.3 p -127.99 -28.22 2.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.144 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.494 HD23 ' OD1' ' A' ' 66' ' ' ASN . 42.1 mt -101.99 153.0 20.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.956 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.773 ' O ' HG23 ' A' ' 64' ' ' VAL . 29.3 t -156.17 131.8 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.15 179.807 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 11.6 tt0 -84.33 124.1 30.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.842 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 2.0 m -125.21 166.49 20.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.126 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.837 ' HB2' HD11 ' A' ' 44' ' ' ILE . 9.3 tp -122.25 119.21 30.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.904 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.492 ' HG ' HD22 ' A' ' 63' ' ' LEU . 27.1 mt -75.86 48.74 0.49 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.91 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.441 ' C ' ' O ' ' A' ' 56' ' ' LEU . 41.6 p90 -35.15 -34.25 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.91 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.447 ' N ' ' O ' ' A' ' 56' ' ' LEU . 16.0 t70 -51.1 -50.07 59.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.86 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.453 HG23 ' N ' ' A' ' 60' ' ' GLY . 34.1 m -101.17 -41.71 8.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.123 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' GLY . . . . . 0.453 ' N ' HG23 ' A' ' 59' ' ' VAL . . . 111.18 49.65 0.66 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.483 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 38.7 t -136.56 125.49 36.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.778 0.323 . . . . 0.0 111.109 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -87.77 121.27 29.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.902 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.492 HD22 ' HG ' ' A' ' 56' ' ' LEU . 0.9 OUTLIER -151.58 176.55 11.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.897 -179.964 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.773 HG23 ' O ' ' A' ' 52' ' ' VAL . 3.2 p -134.69 123.3 41.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.126 179.852 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.93 HG11 HG21 ' A' ' 30' ' ' VAL . 5.6 m -115.48 171.24 4.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.109 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' ASN . . . . . 0.494 ' OD1' HD23 ' A' ' 51' ' ' LEU . 21.4 t30 -82.94 137.04 34.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.884 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.548 ' HA ' HD12 ' A' ' 70' ' ' LEU . 30.1 m -53.4 -36.24 26.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.149 179.881 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.478 ' OD1' ' N ' ' A' ' 69' ' ' CYS . 0.6 OUTLIER -54.89 -26.49 36.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.834 179.969 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 69' ' ' CYS . . . . . 0.478 ' N ' ' OD1' ' A' ' 68' ' ' ASP . 3.1 m -93.68 -21.43 19.36 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.91 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.548 HD12 ' HA ' ' A' ' 67' ' ' VAL . 74.2 mt -70.98 151.84 44.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.936 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 12.4 mmm180 -145.06 145.5 31.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.925 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 7.4 mtpm? -66.42 140.2 58.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.899 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 6.6 tp -83.86 110.35 18.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.898 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -68.19 155.65 39.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.884 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -53.45 -50.56 65.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.898 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 12.4 t-20 -69.97 -45.7 66.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.886 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.63 HD13 ' CZ ' ' A' ' 12' ' ' TYR . 74.6 mt . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.963 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 5.8 mtp . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.722 0.296 . . . . 0.0 110.88 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.762 ' H ' HD12 ' A' ' 9' ' ' ILE . 4.6 mp -48.95 -41.96 13.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.173 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -50.29 -57.94 6.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.063 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.6 -55.09 30.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.082 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 0.415 ' CD1' ' HD3' ' A' ' 71' ' ' ARG . 26.0 m-85 -50.55 -32.47 18.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.959 -179.863 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -76.98 -51.92 10.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.861 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -60.33 -57.43 12.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.903 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.7 t -47.18 174.93 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.851 -179.822 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.58 156.78 41.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.91 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' TRP . . . . . 0.566 ' CD1' ' HA ' ' A' ' 68' ' ' ASP . 73.6 t90 -55.39 135.93 49.87 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.953 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.43 ' CD ' ' HD2' ' A' ' 19' ' ' PRO . 5.1 tp10 -128.58 139.47 35.67 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.642 0.734 . . . . 0.0 110.918 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.43 ' HD2' ' CD ' ' A' ' 18' ' ' GLU . 52.9 Cg_endo -69.83 99.21 0.74 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.651 2.234 . . . . 0.0 112.322 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 1.5 p -129.5 135.56 61.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.147 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 14.5 tppt? -73.98 116.55 14.74 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.897 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' TRP . . . . . 0.448 ' CZ3' ' HB3' ' A' ' 28' ' ' CYS . 83.4 m95 -83.31 125.1 31.26 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.899 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -113.51 152.98 29.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.891 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 12.0 m120 -62.54 144.76 55.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.938 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 71.07 43.53 0.65 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.846 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 37.9 mtp -123.2 160.26 26.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.871 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 5.1 m170 -105.73 138.06 42.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.855 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.448 ' HB3' ' CZ3' ' A' ' 22' ' ' TRP . 31.4 p -157.67 164.35 37.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.869 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -113.81 116.56 29.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.079 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.814 HG21 HG11 ' A' ' 65' ' ' VAL . 2.2 p -92.73 144.78 8.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.143 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.573 ' HB2' ' CH2' ' A' ' 38' ' ' TRP . 24.2 ttpt -102.12 117.45 34.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.933 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 16.4 mt -69.06 139.12 20.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.125 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 11.0 mm100 -73.39 -75.28 0.15 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.927 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -51.91 -52.44 49.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.885 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -70.39 160.18 32.79 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.899 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 24.7 m-20 -113.38 36.11 3.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.864 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.449 ' CD ' ' N ' ' A' ' 38' ' ' TRP . 0.0 OUTLIER -123.91 -174.95 3.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.942 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 38' ' ' TRP . . . . . 0.573 ' CH2' ' HB2' ' A' ' 31' ' ' LYS . 40.2 m95 -130.07 119.6 23.34 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.97 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 65.1 mtt180 -109.08 155.76 20.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.908 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 1.1 mpp_? -99.83 146.4 26.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.887 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -142.25 164.87 26.82 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.512 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 39.8 tt0 -116.14 122.22 44.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.845 0.355 . . . . 0.0 110.881 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 38.0 mm -49.53 95.4 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.143 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.851 HD11 ' HB2' ' A' ' 55' ' ' LEU . 47.6 mt -74.2 -65.79 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.128 179.868 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.437 ' O ' ' CG ' ' A' ' 45' ' ' ARG . 21.2 ptt180 -157.8 121.57 4.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.899 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 28.4 mtp -65.3 116.98 7.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.905 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.671 HG12 HG23 ' A' ' 48' ' ' THR . 42.0 t -78.44 -62.85 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.176 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.671 HG23 HG12 ' A' ' 47' ' ' VAL . 24.3 p -134.47 -176.36 4.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.12 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -73.54 0.19 13.3 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.903 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.651 ' O ' HG22 ' A' ' 67' ' ' VAL . 76.9 p -128.48 -28.86 2.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.176 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.517 ' O ' HG23 ' A' ' 52' ' ' VAL . 21.4 mt -107.87 158.13 17.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.937 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.803 ' O ' HG23 ' A' ' 64' ' ' VAL . 19.9 t -158.37 133.27 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.15 179.842 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -84.29 123.55 30.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.93 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 2.8 m -124.67 163.23 25.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.12 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.851 ' HB2' HD11 ' A' ' 44' ' ' ILE . 9.4 tp -119.54 121.51 39.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.865 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.42 ' O ' ' N ' ' A' ' 58' ' ' ASP . 59.1 mt -77.96 51.7 0.99 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.938 179.864 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 44.0 p90 -38.18 -30.57 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.888 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.42 ' N ' ' O ' ' A' ' 56' ' ' LEU . 5.1 m-20 -54.91 -47.65 74.08 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.904 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.493 HG23 ' N ' ' A' ' 60' ' ' GLY . 35.0 m -104.91 -43.96 8.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.121 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' GLY . . . . . 0.493 ' N ' HG23 ' A' ' 59' ' ' VAL . . . 113.35 51.51 0.5 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.5 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 39.9 t -137.32 126.51 35.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.815 0.34 . . . . 0.0 111.138 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -88.25 121.25 30.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.909 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -152.62 175.03 13.23 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.912 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.803 HG23 ' O ' ' A' ' 52' ' ' VAL . 2.8 p -132.61 130.36 59.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.156 179.822 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.814 HG11 HG21 ' A' ' 30' ' ' VAL . 9.5 m -121.55 170.84 11.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.11 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 3.4 t30 -80.53 136.29 36.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.917 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.651 HG22 ' O ' ' A' ' 50' ' ' THR . 6.7 m -54.22 -39.43 42.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.093 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.566 ' HA ' ' CD1' ' A' ' 17' ' ' TRP . 0.7 OUTLIER -52.65 -21.14 3.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.848 179.955 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 69' ' ' CYS . . . . . 0.491 ' N ' ' OD1' ' A' ' 68' ' ' ASP . 18.8 m -96.81 -31.56 12.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.852 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.43 HD22 ' SG ' ' A' ' 28' ' ' CYS . 64.8 mt -57.78 160.41 4.55 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.904 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.415 ' HD3' ' CD1' ' A' ' 12' ' ' TYR . 8.1 mtp85 -151.9 143.86 23.79 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.837 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 14.1 mmmt -69.11 130.63 43.26 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.856 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 1.8 tp -82.78 118.45 23.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.91 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 44.7 mm-40 -92.19 151.12 20.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.872 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.466 ' HG3' ' N ' ' A' ' 76' ' ' ASN . 12.9 pt-20 -70.06 -48.38 58.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.928 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' ASN . . . . . 0.466 ' N ' ' HG3' ' A' ' 75' ' ' GLU . 1.2 p-10 -50.87 -36.48 38.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.929 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 35.3 mt . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.911 179.976 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.9 mtp . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.776 0.322 . . . . 0.0 110.858 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.772 ' H ' HD12 ' A' ' 9' ' ' ILE . 5.1 mp -47.08 -42.3 6.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.112 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.71 -63.56 1.25 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.078 179.826 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -49.95 -54.43 19.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.106 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 0.432 ' O ' ' C ' ' A' ' 13' ' ' GLU . 49.7 m-85 -57.48 -69.68 0.16 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.891 -179.839 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.432 ' C ' ' O ' ' A' ' 12' ' ' TYR . 21.0 tt0 -35.51 -51.71 0.63 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.903 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 11.9 m-20 -63.22 -46.02 88.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.857 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 22.3 t -62.8 142.97 57.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.833 -179.828 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 6.8 mtmp? -92.4 179.2 5.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.901 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' TRP . . . . . 0.447 ' CD1' ' HA ' ' A' ' 68' ' ' ASP . 89.9 t90 -71.3 161.05 31.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.905 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.432 ' CD ' ' HD2' ' A' ' 19' ' ' PRO . 25.6 tp10 -150.19 137.28 11.38 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.608 0.718 . . . . 0.0 110.874 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.432 ' HD2' ' CD ' ' A' ' 18' ' ' GLU . 53.3 Cg_endo -69.8 98.99 0.72 Allowed 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.734 2.289 . . . . 0.0 112.325 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 2.3 p -134.1 143.19 39.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.167 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 13.6 ttpp -85.86 115.74 23.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.922 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 67.5 m95 -80.65 120.68 24.89 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.899 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.49 ' O ' HG21 ' A' ' 43' ' ' ILE . 49.0 mt-10 -101.67 167.53 10.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.873 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 5.2 t-20 -74.51 148.21 41.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.909 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 71.2 m-20 62.26 45.66 6.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.863 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 29.8 mtp -118.75 162.88 17.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.868 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 6.6 m170 -112.25 142.98 44.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.872 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 14.4 p -163.61 172.11 14.79 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.902 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -115.28 120.27 39.11 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.116 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.893 HG21 HG11 ' A' ' 65' ' ' VAL . 5.6 p -98.83 151.04 4.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.082 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 20.7 ttpt -106.55 119.06 38.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.916 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 31.1 mt -69.93 142.98 15.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.142 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 43.5 mt-30 -76.3 -73.67 0.27 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.882 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 72.1 m-20 -46.66 -49.97 18.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.901 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 12.5 mmmt -87.46 -177.85 6.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.878 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 66.5 m-80 -130.15 31.03 4.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.883 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 8.6 tp60 -111.93 149.91 31.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.937 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' TRP . . . . . 0.5 ' CD1' HG23 ' A' ' 9' ' ' ILE . 65.4 m95 -97.77 121.17 39.36 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.911 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 14.8 mmt-85 -111.03 154.75 23.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.859 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 38.4 mtm180 -90.65 136.24 33.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.866 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -133.55 159.77 23.77 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.526 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.462 ' O ' ' N ' ' A' ' 44' ' ' ILE . 50.9 tt0 -117.16 119.79 36.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.82 0.343 . . . . 0.0 110.911 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.49 HG21 ' O ' ' A' ' 23' ' ' GLU . 45.0 mm -46.75 91.1 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.175 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.885 HD11 ' HB2' ' A' ' 55' ' ' LEU . 41.1 mt -70.39 -65.34 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.164 179.881 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 6.0 ptm180 -157.58 124.77 5.13 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.849 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 32.1 mtp -68.87 114.49 7.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.846 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.646 HG12 HG23 ' A' ' 48' ' ' THR . 58.4 t -79.56 -68.07 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.094 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.646 HG23 HG12 ' A' ' 47' ' ' VAL . 73.8 p -122.11 -179.29 4.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.141 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -71.26 -5.33 31.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.898 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.527 ' O ' HG22 ' A' ' 67' ' ' VAL . 63.3 p -126.5 -27.02 3.2 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.112 -179.86 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.425 HD23 ' OD1' ' A' ' 66' ' ' ASN . 43.0 mt -103.38 153.62 20.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.962 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.789 ' O ' HG23 ' A' ' 64' ' ' VAL . 73.6 t -155.97 134.0 2.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.126 179.851 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 18.1 tt0 -84.55 125.58 32.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.919 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 2.6 m -126.88 158.76 37.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.154 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.885 ' HB2' HD11 ' A' ' 44' ' ' ILE . 8.3 tp -116.1 118.7 33.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.931 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.435 ' O ' ' C ' ' A' ' 57' ' ' TYR . 36.7 mt -76.78 47.66 0.52 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.92 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.503 ' CD1' ' N ' ' A' ' 58' ' ' ASP . 25.7 p90 -35.0 -37.82 0.07 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.959 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.503 ' N ' ' CD1' ' A' ' 57' ' ' TYR . 20.1 t0 -48.43 -50.16 32.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.899 179.863 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.495 HG23 ' N ' ' A' ' 60' ' ' GLY . 34.4 m -98.88 -44.38 11.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.087 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' GLY . . . . . 0.495 ' N ' HG23 ' A' ' 59' ' ' VAL . . . 113.44 49.95 0.54 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.737 -0.745 . . . . 0.0 112.465 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 42.7 t -138.39 125.89 28.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.786 0.327 . . . . 0.0 111.135 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 -90.42 119.35 30.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.897 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -151.48 175.23 12.5 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.867 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.789 HG23 ' O ' ' A' ' 52' ' ' VAL . 3.4 p -131.79 129.44 61.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.133 179.812 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.893 HG11 HG21 ' A' ' 30' ' ' VAL . 4.3 m -121.39 172.12 8.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.139 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' ASN . . . . . 0.425 ' OD1' HD23 ' A' ' 51' ' ' LEU . 24.5 t30 -83.22 136.43 34.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.892 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.527 HG22 ' O ' ' A' ' 50' ' ' THR . 31.2 m -53.07 -36.69 25.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.156 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.447 ' HA ' ' CD1' ' A' ' 17' ' ' TRP . 0.5 OUTLIER -57.05 -21.37 30.81 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.858 179.922 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 1.8 m -96.14 -23.27 16.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.867 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 80.5 mt -68.45 152.67 45.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.966 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.488 ' HG3' ' CH2' ' A' ' 38' ' ' TRP . 8.4 mmp_? -140.65 143.7 35.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.863 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 16.5 mtpp -69.07 127.56 33.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.882 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 3.8 tp -75.06 100.56 4.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.905 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -57.43 -175.51 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.856 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -95.68 -36.94 11.02 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.903 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 17.1 t-20 -62.93 -48.21 79.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.872 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 15.7 mt . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.921 179.97 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 8' ' ' MET . . . . . 0.41 ' HA ' HD22 ' A' ' 77' ' ' LEU . 1.9 mtp . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.77 0.319 . . . . 0.0 110.848 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.746 ' H ' HD12 ' A' ' 9' ' ' ILE . 5.3 mp -46.84 -49.57 6.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.156 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -52.86 -51.73 59.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.141 179.76 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.29 -60.11 4.04 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.096 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 21.0 m-85 -48.01 -47.51 33.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.957 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.15 -53.35 59.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.877 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -55.12 -59.52 4.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.898 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.4 t -48.03 153.44 0.66 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.837 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -110.1 150.12 29.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.897 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 91.5 t90 -41.17 150.12 0.09 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.921 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.431 ' CD ' ' HD2' ' A' ' 19' ' ' PRO . 35.4 tp10 -145.16 137.39 13.29 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.64 0.733 . . . . 0.0 110.869 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.431 ' HD2' ' CD ' ' A' ' 18' ' ' GLU . 53.6 Cg_endo -69.76 93.79 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.665 2.243 . . . . 0.0 112.32 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 5.6 p -126.67 134.52 66.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.151 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 30.7 ttmt -79.42 111.27 15.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.889 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' TRP . . . . . 0.548 ' CZ2' ' HB3' ' A' ' 70' ' ' LEU . 80.4 m95 -74.29 122.77 23.39 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.891 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -106.33 151.8 24.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.91 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 30.2 m120 -61.03 143.24 55.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.822 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 26.7 t0 70.96 48.15 0.4 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.864 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 25.9 mtp -128.14 167.72 16.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.903 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 29.2 m170 -117.88 146.71 43.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.866 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.478 ' HB3' ' CZ3' ' A' ' 22' ' ' TRP . 9.0 p -163.17 163.2 25.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.873 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -107.45 124.57 50.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.086 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.894 HG21 HG11 ' A' ' 65' ' ' VAL . 6.6 p -111.09 138.99 37.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.111 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.519 ' HB2' ' CH2' ' A' ' 38' ' ' TRP . 23.9 ttpt -88.48 117.54 27.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.89 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.511 HG22 ' H ' ' A' ' 35' ' ' LYS . 79.2 mt -73.15 136.41 25.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.167 179.823 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 14.8 pt20 -79.71 -45.2 19.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.924 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -59.01 -52.04 67.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.877 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.511 ' H ' HG22 ' A' ' 32' ' ' ILE . 1.1 mptp? -98.16 -176.78 3.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.92 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 5.5 m-80 -120.06 36.44 4.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.86 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 16.0 mm100 -117.34 178.91 4.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.963 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' TRP . . . . . 0.534 ' CD1' HG23 ' A' ' 9' ' ' ILE . 52.3 m95 -124.28 110.65 14.87 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.888 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.44 ' NH1' HG11 ' A' ' 59' ' ' VAL . 4.4 mmt85 -107.57 138.33 43.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.869 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.438 ' NH1' ' HB3' ' A' ' 58' ' ' ASP . 4.8 ptt85 -92.99 145.4 24.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.855 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -134.87 172.67 21.89 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.484 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 43.6 tt0 -108.81 122.28 46.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.75 0.31 . . . . 0.0 110.929 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 47.9 mm -50.28 94.49 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.103 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.829 HD11 ' HB2' ' A' ' 55' ' ' LEU . 53.3 mt -70.89 -66.47 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.137 179.856 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 3.8 ptm180 -157.24 131.05 8.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.896 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.474 ' HG2' HG22 ' A' ' 52' ' ' VAL . 16.9 mtp -73.54 110.85 8.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.852 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 30.8 t -74.07 -65.9 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.138 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.2 p -128.62 -176.23 3.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.175 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -72.82 -2.09 19.25 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.895 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.423 ' O ' HG22 ' A' ' 67' ' ' VAL . 17.0 p -128.68 -29.31 2.39 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.127 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.444 HD23 ' OD1' ' A' ' 66' ' ' ASN . 88.2 mt -101.47 153.35 19.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.915 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.824 ' O ' HG23 ' A' ' 64' ' ' VAL . 20.3 t -154.87 132.09 2.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.127 179.782 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.416 ' O ' ' N ' ' A' ' 44' ' ' ILE . 12.9 tt0 -84.27 123.98 30.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.882 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 2.1 m -126.19 157.48 36.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.171 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.829 ' HB2' HD11 ' A' ' 44' ' ' ILE . 11.0 tp -116.01 123.09 47.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.906 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.49 ' O ' ' N ' ' A' ' 58' ' ' ASP . 23.8 mt -81.63 44.41 0.81 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.915 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.436 ' C ' ' O ' ' A' ' 56' ' ' LEU . 42.1 p90 -33.9 -33.82 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.932 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.635 ' OD2' HG13 ' A' ' 59' ' ' VAL . 5.2 p-10 -50.93 -54.85 20.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.869 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.635 HG13 ' OD2' ' A' ' 58' ' ' ASP . 26.8 m -95.65 -37.54 7.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.13 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 108.05 53.33 0.66 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.495 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 42.8 t -141.86 126.24 16.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.773 0.32 . . . . 0.0 111.142 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -91.75 118.82 31.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.885 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.455 HD23 ' C ' ' A' ' 63' ' ' LEU . 0.5 OUTLIER -150.47 175.88 11.46 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.921 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.824 HG23 ' O ' ' A' ' 52' ' ' VAL . 3.5 p -133.17 128.97 56.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.182 179.804 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.894 HG11 HG21 ' A' ' 30' ' ' VAL . 5.3 m -118.96 170.96 7.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.09 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' ASN . . . . . 0.444 ' OD1' HD23 ' A' ' 51' ' ' LEU . 18.6 t30 -85.56 134.05 34.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.904 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.423 HG22 ' O ' ' A' ' 50' ' ' THR . 33.8 m -51.22 -19.11 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.153 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -62.48 -31.21 71.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.882 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 45.9 m -95.63 -19.51 19.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.894 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.548 ' HB3' ' CZ2' ' A' ' 22' ' ' TRP . 26.9 mt -61.82 145.09 53.69 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.921 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 2.2 mmp_? -139.9 146.86 39.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.89 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 28.3 mtmm -71.77 112.58 7.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.925 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 2.4 tp -64.03 94.67 0.11 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.952 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -59.79 163.24 4.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.881 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -72.76 -47.37 47.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.829 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 16.1 m-80 -57.22 -56.77 17.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.873 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.41 HD22 ' HA ' ' A' ' 8' ' ' MET . 55.8 mt . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.922 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' MET . . . . . 0.785 ' HA ' HD22 ' A' ' 77' ' ' LEU . 2.1 mtp . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.758 0.313 . . . . 0.0 110.859 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.76 ' H ' HD12 ' A' ' 9' ' ' ILE . 5.4 mp -47.46 -41.7 7.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.097 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.95 -59.75 4.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.152 179.814 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.419 ' HB3' HD11 ' A' ' 77' ' ' LEU . . . -56.42 -59.7 4.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.107 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 29.1 m-85 -50.08 -46.76 53.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.883 -179.795 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -54.98 -61.5 2.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.915 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 39.6 t-20 -56.02 -57.01 13.94 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.871 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.8 m -48.86 139.27 10.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.865 -179.835 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 88.6 mttt -99.66 151.65 20.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.931 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' TRP . . . . . 0.419 ' CH2' ' HA ' ' A' ' 19' ' ' PRO . 82.9 t90 -44.17 157.02 0.06 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.928 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -149.75 143.92 17.23 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.639 0.733 . . . . 0.0 110.889 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.419 ' HA ' ' CH2' ' A' ' 17' ' ' TRP . 53.8 Cg_endo -69.74 96.73 0.6 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.634 2.223 . . . . 0.0 112.358 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 5.8 p -129.39 135.65 61.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.111 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 12.8 ttmm -86.22 116.73 24.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.922 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' TRP . . . . . 0.542 ' CH2' ' HB3' ' A' ' 28' ' ' CYS . 93.3 m95 -80.83 138.38 36.22 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.898 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.476 ' O ' ' CG ' ' A' ' 26' ' ' MET . 2.5 pt-20 -125.28 136.08 53.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.879 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.412 ' C ' ' O ' ' A' ' 23' ' ' GLU . 15.4 m120 -37.15 153.02 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.909 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 38.7 m-20 56.26 50.11 13.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.835 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' MET . . . . . 0.476 ' CG ' ' O ' ' A' ' 23' ' ' GLU . 23.9 mmm -121.48 165.24 15.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.842 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 16.8 m170 -117.45 141.48 48.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.876 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.542 ' HB3' ' CH2' ' A' ' 22' ' ' TRP . 7.7 p -164.53 162.28 21.67 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.908 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -101.39 114.07 27.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.091 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.498 ' N ' ' O ' ' A' ' 39' ' ' ARG . 2.3 p -90.41 144.01 10.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.132 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.56 ' HB2' ' CH2' ' A' ' 38' ' ' TRP . 6.3 ttpm? -103.12 135.21 45.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.873 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.529 HD12 ' HB3' ' A' ' 35' ' ' LYS . 4.3 mt -88.7 149.23 4.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.144 179.855 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 15.8 pt20 -87.47 -55.71 3.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.914 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -72.61 -41.86 65.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.863 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.529 ' HB3' HD12 ' A' ' 32' ' ' ILE . 0.0 OUTLIER -78.2 157.84 29.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.858 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ASN . . . . . 0.496 ' O ' ' NE2' ' A' ' 37' ' ' GLN . 4.3 m120 -110.66 40.41 2.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.855 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.496 ' NE2' ' O ' ' A' ' 36' ' ' ASN . 5.1 mp0 -134.46 179.42 6.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.902 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' TRP . . . . . 0.56 ' CH2' ' HB2' ' A' ' 31' ' ' LYS . 43.2 m95 -120.44 117.07 26.74 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.944 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.498 ' O ' ' N ' ' A' ' 30' ' ' VAL . 13.6 mmp_? -104.22 165.82 10.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.884 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 83.1 mtm180 -116.25 144.07 44.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.837 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -136.88 161.28 25.09 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.445 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.463 ' O ' ' N ' ' A' ' 44' ' ' ILE . 34.8 tt0 -107.49 119.35 39.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.795 0.331 . . . . 0.0 110.895 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.45 ' CG1' ' HB2' ' A' ' 26' ' ' MET . 49.4 mm -48.27 89.97 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.129 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.895 HD11 ' HB2' ' A' ' 55' ' ' LEU . 41.5 mt -68.95 -66.89 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.116 179.846 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 9.0 ptm180 -156.08 127.03 6.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.862 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 19.5 mtp -69.94 112.62 6.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.861 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 12.7 t -73.98 -64.33 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.144 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 15.9 p -130.63 -177.02 4.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.144 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 27.8 m-20 -72.91 1.82 8.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.843 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.502 ' O ' HG22 ' A' ' 67' ' ' VAL . 16.8 p -131.06 -31.32 1.7 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.112 -179.884 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 51.6 mt -103.21 154.75 19.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.937 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.764 ' O ' HG23 ' A' ' 64' ' ' VAL . 54.0 t -153.66 133.96 4.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.192 179.854 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.42 ' O ' ' N ' ' A' ' 44' ' ' ILE . 11.1 tt0 -84.34 123.0 29.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.893 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 2.4 m -126.67 160.74 34.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.14 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.895 ' HB2' HD11 ' A' ' 44' ' ' ILE . 8.7 tp -119.65 121.47 39.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.928 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.584 HD12 ' HB ' ' A' ' 61' ' ' VAL . 34.4 mt -77.75 49.3 0.75 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.879 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.432 ' C ' ' O ' ' A' ' 56' ' ' LEU . 50.9 p90 -35.98 -37.35 0.1 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.952 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.498 ' OD1' ' N ' ' A' ' 58' ' ' ASP . 3.1 p-10 -49.92 -49.74 48.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.855 179.888 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.537 HG23 ' N ' ' A' ' 60' ' ' GLY . 35.4 m -99.41 -47.06 12.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.109 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' GLY . . . . . 0.537 ' N ' HG23 ' A' ' 59' ' ' VAL . . . 116.16 48.16 0.49 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.501 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.584 ' HB ' HD12 ' A' ' 56' ' ' LEU . 38.5 t -135.76 125.04 40.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.788 0.328 . . . . 0.0 111.154 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -89.41 120.9 31.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.916 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -151.19 175.81 11.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.927 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.764 HG23 ' O ' ' A' ' 52' ' ' VAL . 3.6 p -134.42 125.89 47.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.156 179.814 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.451 HG11 HG21 ' A' ' 30' ' ' VAL . 3.9 m -118.43 172.4 5.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.132 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' ASN . . . . . 0.403 HD22 ' CB ' ' A' ' 68' ' ' ASP . 12.6 t30 -84.91 136.5 33.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.915 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.502 HG22 ' O ' ' A' ' 50' ' ' THR . 15.7 m -46.89 -26.88 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.109 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.403 ' CB ' HD22 ' A' ' 66' ' ' ASN . 32.6 t0 -62.35 -37.55 86.09 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.85 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 17.8 m -80.76 -24.92 38.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.904 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.436 HD12 ' HA ' ' A' ' 67' ' ' VAL . 80.0 mt -67.11 149.7 50.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.929 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 66.6 mmt-85 -139.61 137.6 35.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.921 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 31.1 mtpt -63.94 129.24 39.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.921 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 2.3 tp -85.68 92.71 8.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.923 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.41 ' CD ' ' HG ' ' A' ' 77' ' ' LEU . 10.1 pt-20 -63.09 -178.0 0.2 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.855 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -85.26 -54.84 4.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.914 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -45.35 -58.84 3.02 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.884 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.785 HD22 ' HA ' ' A' ' 8' ' ' MET . 66.7 mt . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.954 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' MET . . . . . 0.751 ' HA ' HD22 ' A' ' 77' ' ' LEU . 1.8 mtp . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.788 0.328 . . . . 0.0 110.88 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.758 ' H ' HD12 ' A' ' 9' ' ' ILE . 5.3 mp -43.53 -48.27 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.158 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.82 -63.67 1.1 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.095 179.79 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -45.06 -57.75 3.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.109 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 32.1 m-85 -56.26 -43.22 78.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.893 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -53.11 -62.27 1.76 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.89 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -60.94 -42.42 98.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.874 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 49.4 p -53.1 141.94 21.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.82 -179.841 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 8.5 ptpp? -100.6 159.18 15.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.899 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' TRP . . . . . 0.421 ' NE1' ' HA ' ' A' ' 68' ' ' ASP . 89.1 t90 -63.15 157.82 21.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.901 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -156.76 140.13 11.16 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.629 0.728 . . . . 0.0 110.849 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 94.48 0.53 Allowed 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.676 2.251 . . . . 0.0 112.37 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 3.1 p -128.85 117.16 43.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.111 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.9 tppp? -68.27 117.54 10.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.916 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 88.2 m95 -80.53 119.2 22.88 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.884 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -94.97 155.91 16.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.83 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 5.8 m120 -60.55 141.97 55.94 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.887 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 10.7 t70 70.08 50.42 0.44 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.846 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 36.8 mtp -128.96 168.98 15.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.91 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.819 ' HB3' HD22 ' A' ' 73' ' ' LEU . 13.8 m170 -117.51 141.04 48.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.822 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.417 ' SG ' HD22 ' A' ' 70' ' ' LEU . 25.7 p -153.46 177.56 10.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.894 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -122.42 120.32 33.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.118 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.855 HG21 HG11 ' A' ' 65' ' ' VAL . 5.6 p -94.97 148.58 4.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.155 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.498 ' HB2' ' CH2' ' A' ' 38' ' ' TRP . 44.4 tttt -104.99 112.92 26.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.942 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.519 HG22 ' H ' ' A' ' 35' ' ' LYS . 36.9 mt -71.41 140.77 17.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.104 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -75.35 -74.4 0.21 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.935 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -53.39 -40.96 65.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.858 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.519 ' H ' HG22 ' A' ' 32' ' ' ILE . 7.3 tptt -89.95 154.31 19.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.902 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -107.24 31.41 5.4 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.886 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 -117.92 154.71 31.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.89 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' TRP . . . . . 0.498 ' CH2' ' HB2' ' A' ' 31' ' ' LYS . 48.2 m95 -107.71 115.23 29.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.904 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.757 ' O ' HG12 ' A' ' 30' ' ' VAL . 31.0 mtm180 -106.01 134.8 48.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.852 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 21.0 ptt180 -81.31 148.89 29.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.9 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -140.21 178.46 19.87 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.477 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 38.0 tt0 -118.6 122.07 41.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.757 0.313 . . . . 0.0 110.972 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 49.0 mm -52.92 92.46 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.142 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.872 HD11 ' HB2' ' A' ' 55' ' ' LEU . 53.9 mt -71.25 -70.02 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.142 179.859 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.425 ' O ' ' CG ' ' A' ' 45' ' ' ARG . 20.5 ptt85 -152.9 122.85 6.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.871 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.663 ' HG2' HG22 ' A' ' 52' ' ' VAL . 33.8 mtp -68.27 117.61 10.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.882 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.649 HG12 HG23 ' A' ' 48' ' ' THR . 43.5 t -78.43 -71.08 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.133 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.649 HG23 HG12 ' A' ' 47' ' ' VAL . 44.6 p -122.91 -175.84 3.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.099 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -75.08 -0.08 17.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.876 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.569 ' O ' HG22 ' A' ' 67' ' ' VAL . 58.9 p -127.61 -27.37 2.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.155 -179.883 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.537 HD23 ' OD1' ' A' ' 66' ' ' ASN . 6.4 mt -108.97 159.65 16.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.875 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.809 ' O ' HG23 ' A' ' 64' ' ' VAL . 20.0 t -158.42 135.83 2.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.14 179.813 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 11.7 tt0 -85.59 123.04 30.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.938 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 2.4 m -124.76 165.92 21.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.147 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.872 ' HB2' HD11 ' A' ' 44' ' ' ILE . 6.9 tp -121.48 120.82 36.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.934 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.466 ' N ' HD12 ' A' ' 55' ' ' LEU . 30.1 mt -79.76 46.59 0.79 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.913 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.44 ' C ' ' O ' ' A' ' 56' ' ' LEU . 30.0 p90 -35.26 -36.22 0.06 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.928 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.434 ' N ' ' CD1' ' A' ' 57' ' ' TYR . 6.5 p-10 -48.69 -49.78 36.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.918 179.857 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.453 HG23 ' N ' ' A' ' 60' ' ' GLY . 35.1 m -100.83 -42.16 9.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.129 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' GLY . . . . . 0.453 ' N ' HG23 ' A' ' 59' ' ' VAL . . . 112.76 49.16 0.6 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.513 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 43.0 t -137.36 126.69 35.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.816 0.341 . . . . 0.0 111.119 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -92.78 118.61 31.27 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.863 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.446 ' O ' HD23 ' A' ' 63' ' ' LEU . 0.5 OUTLIER -150.04 175.73 11.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.951 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.809 HG23 ' O ' ' A' ' 52' ' ' VAL . 3.5 p -131.54 133.85 61.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.093 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.855 HG11 HG21 ' A' ' 30' ' ' VAL . 5.4 m -125.54 176.64 5.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.126 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' ASN . . . . . 0.537 ' OD1' HD23 ' A' ' 51' ' ' LEU . 5.5 t30 -88.18 136.74 32.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.875 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.569 HG22 ' O ' ' A' ' 50' ' ' THR . 16.1 m -52.09 -40.57 30.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.127 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.421 ' HA ' ' NE1' ' A' ' 17' ' ' TRP . 0.5 OUTLIER -53.67 -20.03 4.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.885 179.923 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 2.6 m -98.92 -23.42 15.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.873 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.417 HD22 ' SG ' ' A' ' 28' ' ' CYS . 87.2 mt -70.1 156.73 38.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.969 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 3.4 mmp_? -140.66 157.94 44.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.879 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 26.1 mtpp -77.06 117.72 18.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.94 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.819 HD22 ' HB3' ' A' ' 27' ' ' HIS . 2.1 tp -69.26 100.73 1.36 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.963 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 24.2 mm-40 -80.44 149.97 29.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.877 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 25.6 tt0 -55.21 -54.46 43.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.887 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 14.6 p-10 -47.08 -50.27 20.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.902 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.751 HD22 ' HA ' ' A' ' 8' ' ' MET . 51.3 mt . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.931 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 4.0 mtp . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.721 0.296 . . . . 0.0 110.843 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.783 ' H ' HD12 ' A' ' 9' ' ' ILE . 5.4 mp -42.68 -43.25 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.155 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -56.59 -59.66 4.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.085 179.804 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -54.77 -57.27 12.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.157 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 0.567 ' CD1' ' HB3' ' A' ' 71' ' ' ARG . 40.2 m-85 -51.6 -57.32 9.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.917 -179.881 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 9.6 tm-20 -51.35 -54.68 23.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.853 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 8.8 t30 -54.66 -44.6 73.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.862 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.1 t -64.16 162.3 14.7 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.846 -179.825 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.3 mmmp? -116.35 173.91 6.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.861 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' TRP . . . . . 0.439 ' CH2' ' HA ' ' A' ' 19' ' ' PRO . 79.8 t90 -55.91 142.99 33.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.945 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 16.8 tp10 -135.08 134.79 21.9 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.628 0.727 . . . . 0.0 110.933 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.439 ' HA ' ' CH2' ' A' ' 17' ' ' TRP . 53.9 Cg_endo -69.72 96.5 0.59 Allowed 'Trans proline' 0 C--O 1.231 0.144 0 C-N-CA 122.744 2.296 . . . . 0.0 112.337 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 4.8 p -135.2 140.14 45.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.105 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 25.2 ttmt -88.62 114.8 25.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.886 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' TRP . . . . . 0.565 ' CZ3' ' HB3' ' A' ' 28' ' ' CYS . 78.8 m95 -76.08 113.9 14.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.943 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -95.99 158.99 15.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.859 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 8.9 m120 -59.92 157.55 12.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.908 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 46.0 49.48 12.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.918 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' MET . . . . . 0.471 ' HB2' ' CG1' ' A' ' 43' ' ' ILE . 39.7 mmm -113.38 172.84 6.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.896 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -121.68 139.86 53.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.862 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.565 ' HB3' ' CZ3' ' A' ' 22' ' ' TRP . 24.8 p -162.73 168.99 20.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.846 -179.878 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -111.17 124.25 51.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.057 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.752 HG21 HG11 ' A' ' 65' ' ' VAL . 7.2 p -106.02 154.29 7.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.148 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.438 ' N ' HG22 ' A' ' 30' ' ' VAL . 16.6 ttpp -108.93 121.31 44.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.905 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.448 HG22 ' H ' ' A' ' 35' ' ' LYS . 29.5 mt -68.64 140.72 18.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.146 179.88 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.425 ' HG3' ' N ' ' A' ' 34' ' ' ASP . 27.4 pt20 -81.54 -52.96 6.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.892 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.425 ' N ' ' HG3' ' A' ' 33' ' ' GLN . 18.1 m-20 -61.87 -46.89 87.47 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.865 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.456 ' HD3' ' N ' ' A' ' 35' ' ' LYS . 0.0 OUTLIER -98.41 -178.58 4.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.911 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 14.2 m120 -123.86 36.47 4.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.868 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 72.6 mt-30 -114.95 132.34 56.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.91 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' TRP . . . . . 0.483 ' CD1' HG23 ' A' ' 9' ' ' ILE . 42.8 m95 -82.55 111.37 18.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.88 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 5.1 mmp_? -104.79 172.15 6.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.877 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -107.0 156.92 18.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.883 -179.905 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -148.54 162.96 28.96 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.492 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.449 ' O ' ' N ' ' A' ' 44' ' ' ILE . 36.6 tt0 -116.75 118.1 31.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.779 0.323 . . . . 0.0 110.892 -179.906 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.471 ' CG1' ' HB2' ' A' ' 26' ' ' MET . 45.7 mm -47.42 91.61 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.148 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.838 HD11 ' HB2' ' A' ' 55' ' ' LEU . 54.1 mt -70.7 -66.67 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.148 179.863 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 6.4 ptm180 -154.96 121.27 5.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.875 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.559 ' HG2' HG22 ' A' ' 52' ' ' VAL . 37.2 mtp -67.77 111.98 4.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.908 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.445 HG12 HG23 ' A' ' 48' ' ' THR . 18.9 t -75.25 -68.56 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.127 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.445 HG23 HG12 ' A' ' 47' ' ' VAL . 75.0 p -125.32 172.59 9.47 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.156 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 66.9 m-20 -58.23 -12.03 3.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.914 179.844 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.483 ' O ' HG22 ' A' ' 67' ' ' VAL . 72.2 p -120.58 -35.36 3.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.169 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 68.4 mt -91.88 146.82 23.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.888 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.78 ' C ' HG23 ' A' ' 64' ' ' VAL . 37.2 t -152.75 130.27 2.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.15 179.835 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.416 ' O ' ' N ' ' A' ' 44' ' ' ILE . 12.8 tt0 -84.32 121.66 27.84 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.902 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.432 HG12 HD13 ' A' ' 43' ' ' ILE . 6.1 m -124.11 156.48 31.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.173 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.838 ' HB2' HD11 ' A' ' 44' ' ' ILE . 11.7 tp -111.85 120.67 42.72 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.918 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.421 ' O ' ' C ' ' A' ' 57' ' ' TYR . 47.8 mt -78.43 49.86 0.89 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.907 179.892 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.421 ' C ' ' O ' ' A' ' 56' ' ' LEU . 39.2 p90 -36.84 -35.52 0.09 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.919 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -50.3 -48.45 55.1 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.843 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.506 HG23 ' N ' ' A' ' 60' ' ' GLY . 33.7 m -101.51 -45.11 11.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.126 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' GLY . . . . . 0.506 ' N ' HG23 ' A' ' 59' ' ' VAL . . . 114.75 48.24 0.55 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.516 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 43.1 t -136.09 126.25 41.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.791 0.329 . . . . 0.0 111.156 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -91.34 118.92 30.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.883 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -152.23 176.24 11.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.927 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.78 HG23 ' C ' ' A' ' 52' ' ' VAL . 3.5 p -129.66 131.34 66.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.1 179.823 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.752 HG11 HG21 ' A' ' 30' ' ' VAL . 13.6 m -124.12 164.61 22.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.124 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 25.9 t30 -78.45 132.75 37.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.855 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.483 HG22 ' O ' ' A' ' 50' ' ' THR . 19.1 m -49.39 -19.33 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.155 179.893 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -63.88 -37.15 86.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.848 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 7.9 m -85.3 -27.05 26.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.921 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 35.9 mt -61.26 138.79 58.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.927 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.567 ' HB3' ' CD1' ' A' ' 12' ' ' TYR . 51.9 mmt-85 -126.04 144.89 50.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.933 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 36.9 mtmt -71.55 118.78 14.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.932 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 3.6 tp -67.28 96.69 0.5 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.914 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 37.6 mm-40 -64.11 145.74 55.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.86 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -61.68 -26.0 67.75 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.883 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 16.3 t-20 -71.56 -59.75 2.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.889 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 81.0 mt . . . . . 0 C--N 1.328 -0.359 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.894 179.979 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 8' ' ' MET . . . . . 0.85 ' HA ' HD22 ' A' ' 77' ' ' LEU . 6.2 mtp . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.77 0.319 . . . . 0.0 110.913 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.781 ' H ' HD12 ' A' ' 9' ' ' ILE . 4.9 mp -54.42 -44.62 67.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.151 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -56.62 -49.87 73.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.119 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.8 -59.4 4.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.066 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 0.543 ' OH ' HD12 ' A' ' 73' ' ' LEU . 42.4 m-85 -47.75 -50.63 24.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.986 -179.893 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -60.88 -45.69 93.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.887 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -60.1 -38.11 81.97 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.885 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.2 t -72.63 179.04 3.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.897 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.413 ' O ' ' C ' ' A' ' 17' ' ' TRP . 3.7 mtmp? -136.11 144.62 45.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.892 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' TRP . . . . . 0.413 ' C ' ' O ' ' A' ' 16' ' ' LYS . 48.5 t90 -37.29 130.33 0.92 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.904 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -122.03 140.32 32.02 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.616 0.722 . . . . 0.0 110.91 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 91.42 0.51 Allowed 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.665 2.244 . . . . 0.0 112.353 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.61 HG21 ' HD3' ' A' ' 72' ' ' LYS . 4.1 p -126.56 137.73 56.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.106 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 22.2 tptp -86.25 110.82 19.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.896 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' TRP . . . . . 0.546 ' CZ3' ' HB3' ' A' ' 28' ' ' CYS . 82.4 m95 -73.04 123.44 23.54 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.928 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -107.27 156.63 18.66 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.86 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 26.9 t-20 -56.33 144.27 31.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.87 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 4.5 t70 61.66 51.92 3.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.83 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 26.8 mmm -122.8 164.59 18.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.887 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 17.7 m170 -114.55 147.82 38.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.845 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.766 ' SG ' HD22 ' A' ' 70' ' ' LEU . 26.6 p -167.05 157.88 11.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.872 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -97.37 114.94 26.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.118 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.607 HG21 HG11 ' A' ' 65' ' ' VAL . 4.6 p -89.82 149.02 4.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.098 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.529 ' HB2' ' CH2' ' A' ' 38' ' ' TRP . 36.1 tttt -108.66 125.06 51.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.916 179.864 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 39.0 mt -82.64 144.09 10.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.165 179.855 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 16.8 pt20 -91.36 -39.06 12.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.957 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -75.67 -14.71 60.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.894 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 38.1 mmtt -127.06 176.29 7.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.955 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 50.2 t30 -119.84 36.35 4.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.882 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 50.6 mt-30 -116.42 177.38 4.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.921 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' TRP . . . . . 0.529 ' CH2' ' HB2' ' A' ' 31' ' ' LYS . 52.4 m95 -129.73 111.57 12.78 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.921 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.405 ' O ' ' N ' ' A' ' 30' ' ' VAL . 97.1 mtt180 -105.42 178.21 4.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.83 -179.909 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -116.97 162.57 17.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.847 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -153.1 162.28 30.05 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.488 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 42.6 tt0 -113.1 116.2 29.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.797 0.332 . . . . 0.0 110.932 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 47.4 mm -46.24 96.53 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.096 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.942 HD11 ' HB2' ' A' ' 55' ' ' LEU . 69.6 mt -77.0 -67.65 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.153 179.823 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.424 ' O ' ' CG ' ' A' ' 45' ' ' ARG . 19.6 ptt180 -154.11 121.28 5.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 49.6 mtp -68.04 112.52 5.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.883 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.65 HG12 HG23 ' A' ' 48' ' ' THR . 78.4 t -73.7 -66.97 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.156 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.65 HG23 HG12 ' A' ' 47' ' ' VAL . 46.7 p -125.0 173.55 8.6 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.117 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 69.9 m-20 -61.35 -9.08 4.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.892 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.634 ' O ' HG22 ' A' ' 67' ' ' VAL . 15.4 p -121.73 -34.24 3.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.123 -179.9 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.446 ' O ' HG23 ' A' ' 52' ' ' VAL . 35.7 mt -95.33 154.42 17.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.904 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.768 ' C ' HG23 ' A' ' 64' ' ' VAL . 47.6 t -157.21 132.24 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.18 179.821 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 16.3 tt0 -84.31 122.68 29.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.886 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 4.8 m -124.43 162.71 25.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.117 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.942 ' HB2' HD11 ' A' ' 44' ' ' ILE . 12.4 tp -119.5 121.01 38.46 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.911 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.599 HD12 ' HB ' ' A' ' 61' ' ' VAL . 33.3 mt -77.32 47.84 0.59 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.904 179.885 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.45 ' C ' ' O ' ' A' ' 56' ' ' LEU . 47.7 p90 -34.33 -38.9 0.07 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.909 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -48.27 -51.43 25.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.869 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.512 HG23 ' N ' ' A' ' 60' ' ' GLY . 34.1 m -97.56 -45.66 12.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.121 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' GLY . . . . . 0.512 ' N ' HG23 ' A' ' 59' ' ' VAL . . . 114.56 48.07 0.56 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.427 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.599 ' HB ' HD12 ' A' ' 56' ' ' LEU . 40.3 t -136.11 125.76 39.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.786 0.327 . . . . 0.0 111.165 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 -89.11 120.6 30.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.85 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.401 HD22 ' HG ' ' A' ' 56' ' ' LEU . 1.0 OUTLIER -150.66 176.49 10.96 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.956 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.768 HG23 ' C ' ' A' ' 52' ' ' VAL . 4.1 p -134.51 125.77 47.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.161 179.816 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.607 HG11 HG21 ' A' ' 30' ' ' VAL . 6.3 m -120.07 168.14 12.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.114 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 35.9 t30 -82.07 134.11 35.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.89 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.634 HG22 ' O ' ' A' ' 50' ' ' THR . 15.6 m -47.18 -29.16 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.152 179.878 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 15.0 t0 -58.09 -37.26 74.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.906 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 5.6 m -80.47 -34.24 36.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.888 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.766 HD22 ' SG ' ' A' ' 28' ' ' CYS . 61.4 mt -57.06 150.95 16.05 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.945 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 12.2 mmt85 -142.9 149.35 38.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.888 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.61 ' HD3' HG21 ' A' ' 20' ' ' VAL . 1.7 mmmm -66.78 132.92 49.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.906 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.543 HD12 ' OH ' ' A' ' 12' ' ' TYR . 3.7 tp -93.4 93.2 8.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -69.6 160.61 31.22 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.873 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -68.66 -38.44 80.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.843 -179.878 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 5.7 m-20 -46.12 -58.24 3.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.895 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.85 HD22 ' HA ' ' A' ' 8' ' ' MET . 11.9 mt . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.924 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 3.2 mtp . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.738 0.304 . . . . 0.0 110.858 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.694 ' H ' HD12 ' A' ' 9' ' ' ILE . 5.2 mp -49.26 -42.19 15.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.115 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.06 -59.49 4.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.071 179.829 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -52.18 -54.74 27.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.133 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 35.4 m-85 -57.05 -55.77 30.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.883 -179.831 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -47.21 -61.81 1.72 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.892 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -52.06 -47.23 65.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.936 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.0 m -63.45 143.07 58.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.889 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 15.0 ptpt -90.84 158.06 17.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.869 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' TRP . . . . . 0.506 ' CG ' ' N ' ' A' ' 18' ' ' GLU . 84.5 t90 -47.8 168.14 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.923 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.506 ' N ' ' CG ' ' A' ' 17' ' ' TRP . 7.3 tp10 -156.58 136.37 8.45 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.662 0.744 . . . . 0.0 110.859 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 100.86 0.85 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.702 2.268 . . . . 0.0 112.308 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 1.7 p -132.81 122.02 45.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.141 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 32.5 tttt -68.23 107.05 2.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.928 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' TRP . . . . . 0.506 ' CZ3' ' HB3' ' A' ' 28' ' ' CYS . 66.7 m95 -70.92 111.07 6.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.927 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -90.38 155.05 19.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.942 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.445 ' O ' ' CG ' ' A' ' 25' ' ' ASP . 3.3 t-20 -58.68 156.38 11.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.889 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.445 ' CG ' ' O ' ' A' ' 24' ' ' ASN . 0.5 OUTLIER 47.71 52.21 12.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.844 179.873 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 26' ' ' MET . . . . . 0.463 ' HB2' ' CG1' ' A' ' 43' ' ' ILE . 27.2 mmm -118.47 174.29 6.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.895 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -119.82 140.68 50.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.878 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.506 ' HB3' ' CZ3' ' A' ' 22' ' ' TRP . 24.8 p -161.88 168.63 22.68 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.864 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -112.66 119.32 37.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.122 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.958 HG21 HG11 ' A' ' 65' ' ' VAL . 12.6 p -99.57 154.57 4.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.116 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.422 ' N ' HG22 ' A' ' 30' ' ' VAL . 13.7 ttpp -111.92 125.68 54.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.866 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.647 HG22 ' H ' ' A' ' 35' ' ' LYS . 63.7 mt -78.71 138.0 20.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.147 179.843 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.409 ' HG3' ' N ' ' A' ' 34' ' ' ASP . 28.1 pt20 -81.18 -46.16 15.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.905 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.409 ' N ' ' HG3' ' A' ' 33' ' ' GLN . 19.5 t0 -62.55 -39.14 92.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.837 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.647 ' H ' HG22 ' A' ' 32' ' ' ILE . 12.0 mptt -108.31 -177.06 3.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.885 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -125.96 40.7 3.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.928 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -125.44 137.56 53.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.899 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 56.0 m95 -84.75 124.8 31.95 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.932 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.403 ' CZ ' HG11 ' A' ' 59' ' ' VAL . 56.1 mtt180 -111.34 179.98 3.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.892 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 89.5 mtm180 -118.14 142.58 47.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.86 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -142.68 148.64 20.43 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.524 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.465 ' O ' ' N ' ' A' ' 44' ' ' ILE . 48.9 tt0 -100.38 117.71 35.13 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.768 0.318 . . . . 0.0 110.906 -179.832 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.463 ' CG1' ' HB2' ' A' ' 26' ' ' MET . 47.1 mm -44.24 91.81 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.158 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.756 HD11 ' HB2' ' A' ' 55' ' ' LEU . 32.0 mt -68.32 -64.18 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.161 179.821 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.402 ' HB2' ' NH1' ' A' ' 45' ' ' ARG . 0.2 OUTLIER -158.77 125.7 4.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.88 179.948 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.639 ' HG2' HG22 ' A' ' 52' ' ' VAL . 14.0 mtp -68.53 107.81 3.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.895 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 11.2 t -71.48 -68.7 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.128 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.3 p -129.18 -177.47 4.25 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.147 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -72.5 -6.33 43.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.844 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 48.0 p -125.52 -13.61 6.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.111 -179.84 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 74.7 mt -121.19 152.61 38.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.893 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.773 ' C ' HG23 ' A' ' 64' ' ' VAL . 19.9 t -154.91 133.08 2.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.13 179.851 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.42 ' O ' ' N ' ' A' ' 44' ' ' ILE . 12.7 tt0 -84.29 125.11 31.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.926 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -126.13 158.07 35.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.102 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.85 HD13 ' HG3' ' A' ' 62' ' ' GLU . 3.5 tp -115.73 119.66 36.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.955 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.566 HD12 ' HB ' ' A' ' 61' ' ' VAL . 66.2 mt -75.74 48.97 0.49 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.944 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.429 ' C ' ' O ' ' A' ' 56' ' ' LEU . 40.5 p90 -36.24 -30.39 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.926 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.491 ' N ' ' O ' ' A' ' 56' ' ' LEU . 10.6 p-10 -55.26 -49.38 72.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.837 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.434 HG23 ' N ' ' A' ' 60' ' ' GLY . 35.6 m -101.82 -40.9 7.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.108 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' GLY . . . . . 0.434 ' N ' HG23 ' A' ' 59' ' ' VAL . . . 116.14 34.51 1.34 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.513 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.566 ' HB ' HD12 ' A' ' 56' ' ' LEU . 41.2 t -125.69 124.11 65.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.817 0.341 . . . . 0.0 111.122 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.85 ' HG3' HD13 ' A' ' 55' ' ' LEU . 7.3 mp0 -95.19 117.2 29.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.862 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -143.83 168.77 19.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.903 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.773 HG23 ' C ' ' A' ' 52' ' ' VAL . 4.8 p -119.98 127.94 75.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.163 179.831 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.958 HG11 HG21 ' A' ' 30' ' ' VAL . 4.6 m -120.58 172.01 8.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.145 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 3.9 t30 -82.7 130.68 35.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.885 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 13.4 m -46.44 -29.49 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.098 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.4 ' OD1' ' C ' ' A' ' 68' ' ' ASP . 6.3 t0 -52.43 -37.98 58.06 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.859 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 9.1 m -86.68 -27.99 23.42 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.873 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 32.2 mt -62.22 134.78 56.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.909 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 48.5 mmm-85 -135.28 149.97 49.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.882 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 44.5 mtmt -67.0 135.05 53.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.903 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 3.2 tp -87.57 94.86 9.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.918 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 38.0 mm-40 -52.3 166.25 0.19 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.881 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -78.95 -56.72 4.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.909 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 8.0 m-20 -52.47 -57.4 10.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.929 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 68.9 mt . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.929 179.903 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 8' ' ' MET . . . . . 0.53 ' HA ' HD22 ' A' ' 77' ' ' LEU . 1.9 mtp . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.717 0.294 . . . . 0.0 110.85 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.76 ' H ' HD12 ' A' ' 9' ' ' ILE . 5.1 mp -44.8 -38.92 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.099 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.11 -60.88 2.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.121 179.808 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -56.99 -55.27 36.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.123 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 30.8 m-85 -51.0 -54.02 28.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.955 -179.868 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -57.85 -52.7 64.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.891 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 5.8 t30 -53.41 -42.63 67.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.883 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 7.3 t -67.57 158.49 31.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.86 -179.868 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 42.3 mttp -109.58 175.26 5.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.882 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 80.7 t90 -63.88 142.64 58.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.975 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -139.77 131.6 14.77 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.645 0.736 . . . . 0.0 110.887 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 100.34 0.82 Allowed 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.661 2.241 . . . . 0.0 112.287 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.415 HG13 ' O ' ' A' ' 20' ' ' VAL . 2.7 p -134.82 111.97 14.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.093 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 19.1 ttmt -60.52 93.3 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.905 179.858 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' TRP . . . . . 0.518 ' CZ3' ' HB3' ' A' ' 28' ' ' CYS . 92.1 m95 -57.59 119.39 6.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.935 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.716 ' O ' HG21 ' A' ' 43' ' ' ILE . 42.5 mt-10 -96.11 174.53 6.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.87 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.432 ' O ' ' CG ' ' A' ' 25' ' ' ASP . 6.0 t30 -74.17 160.3 31.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.892 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.432 ' CG ' ' O ' ' A' ' 24' ' ' ASN . 2.2 p30 46.11 50.7 11.6 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.837 179.889 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 25.1 mtp -119.79 175.43 5.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.902 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.802 ' HB3' HD22 ' A' ' 73' ' ' LEU . 0.3 OUTLIER -122.84 138.0 54.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.865 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.518 ' HB3' ' CZ3' ' A' ' 22' ' ' TRP . 25.8 p -158.61 161.75 37.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.876 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -106.25 134.51 49.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.106 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.804 HG21 HG11 ' A' ' 65' ' ' VAL . 4.0 p -116.06 157.12 17.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.107 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.544 ' HB2' ' CZ2' ' A' ' 38' ' ' TRP . 17.0 ttpp -103.22 133.96 47.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.931 179.876 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 10.5 mt -89.01 143.49 11.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.144 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 17.9 mt-30 -79.75 -62.87 1.55 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.9 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -53.21 -46.0 68.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.853 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 8.9 mmtp -98.3 -179.91 4.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.883 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 80.5 m-20 -123.86 36.13 4.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.906 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -112.06 -175.4 2.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.875 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' TRP . . . . . 0.544 ' CZ2' ' HB2' ' A' ' 31' ' ' LYS . 30.6 m95 -135.59 111.93 9.81 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.931 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.709 ' O ' HG12 ' A' ' 30' ' ' VAL . 10.8 mtt85 -106.85 135.88 47.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.861 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 3.2 ptp85 -80.49 141.49 35.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.877 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -129.63 171.85 20.11 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.459 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.443 ' O ' ' N ' ' A' ' 44' ' ' ILE . 12.7 tt0 -108.33 120.57 42.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.806 0.336 . . . . 0.0 110.894 -179.882 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.716 HG21 ' O ' ' A' ' 23' ' ' GLU . 44.6 mm -52.57 88.33 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.159 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.825 HD11 ' HB2' ' A' ' 55' ' ' LEU . 54.9 mt -65.79 -69.44 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.15 179.885 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 6.9 ptm180 -156.47 123.87 5.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.869 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.556 ' HG2' HG22 ' A' ' 52' ' ' VAL . 39.6 mtp -67.81 108.41 2.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.851 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.601 HG12 HG23 ' A' ' 48' ' ' THR . 44.2 t -66.75 -67.69 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.114 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.601 HG23 HG12 ' A' ' 47' ' ' VAL . 32.4 p -125.16 -177.09 3.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.138 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -74.44 -1.1 19.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.894 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.575 ' O ' HG22 ' A' ' 67' ' ' VAL . 0.9 OUTLIER -125.78 -26.42 3.49 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.132 -179.905 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.599 HD23 ' OD1' ' A' ' 66' ' ' ASN . 3.1 mt -111.12 158.53 18.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.901 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.799 ' O ' HG23 ' A' ' 64' ' ' VAL . 39.5 t -154.21 134.94 4.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.089 179.82 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -84.85 121.41 27.68 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.888 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 2.1 m -124.01 158.78 30.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.1 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.825 ' HB2' HD11 ' A' ' 44' ' ' ILE . 6.6 tp -116.57 120.16 37.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.915 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.453 ' N ' HD12 ' A' ' 55' ' ' LEU . 29.3 mt -78.31 46.75 0.64 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.951 179.849 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.444 ' C ' ' O ' ' A' ' 56' ' ' LEU . 36.7 p90 -33.95 -36.81 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.972 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.433 ' N ' ' O ' ' A' ' 56' ' ' LEU . 2.0 p-10 -49.37 -53.82 20.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.882 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.457 HG23 ' N ' ' A' ' 60' ' ' GLY . 34.4 m -95.45 -42.31 12.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.156 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' GLY . . . . . 0.457 ' N ' HG23 ' A' ' 59' ' ' VAL . . . 111.85 49.38 0.63 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.498 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 41.5 t -137.67 126.02 32.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.815 0.341 . . . . 0.0 111.096 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -92.18 119.52 31.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.885 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -151.19 174.46 13.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.874 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.799 HG23 ' O ' ' A' ' 52' ' ' VAL . 3.5 p -132.46 128.17 57.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.1 179.851 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.804 HG11 HG21 ' A' ' 30' ' ' VAL . 4.9 m -118.49 171.9 6.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.136 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' ASN . . . . . 0.599 ' OD1' HD23 ' A' ' 51' ' ' LEU . 15.3 t30 -84.63 133.62 34.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.886 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.575 HG22 ' O ' ' A' ' 50' ' ' THR . 27.7 m -47.32 -21.22 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.102 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 83.6 m-20 -61.93 -38.05 87.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.844 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 5.2 m -85.84 -25.81 26.04 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.935 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.401 ' O ' ' CZ ' ' A' ' 71' ' ' ARG . 56.8 mt -62.97 139.02 58.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.906 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.401 ' CZ ' ' O ' ' A' ' 70' ' ' LEU . 10.4 mmp_? -134.64 153.87 51.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.84 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 6.0 mtpm? -69.74 117.96 11.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.873 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.802 HD22 ' HB3' ' A' ' 27' ' ' HIS . 4.9 tp -67.5 97.38 0.58 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.971 179.876 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 29.9 mm-40 -62.21 159.45 14.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.88 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 15.8 tt0 -73.94 -48.97 26.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.901 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -49.92 -54.43 19.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.886 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.53 HD22 ' HA ' ' A' ' 8' ' ' MET . 90.3 mt . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.919 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' MET . . . . . 0.658 ' HA ' HD22 ' A' ' 77' ' ' LEU . 1.3 mtt . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.773 0.32 . . . . 0.0 110.907 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.673 ' H ' HD12 ' A' ' 9' ' ' ILE . 5.3 mp -52.63 -50.39 41.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.13 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -46.94 -53.35 12.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.1 179.842 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -67.14 -62.75 1.27 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.112 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 0.504 ' CZ ' ' CD1' ' A' ' 77' ' ' LEU . 22.2 m-85 -43.24 -36.73 1.88 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.898 -179.858 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -74.56 -47.36 33.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.874 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ASN . . . . . 0.426 ' OD1' ' C ' ' A' ' 14' ' ' ASN . 2.7 t30 -58.49 -42.36 87.43 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.898 -179.904 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 10.8 t -68.52 -176.77 0.82 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.881 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.448 ' HD3' ' N ' ' A' ' 16' ' ' LYS . 0.7 OUTLIER -146.08 171.78 14.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.879 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 74.5 t90 -39.93 152.6 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.927 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -157.84 137.0 8.17 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.632 0.73 . . . . 0.0 110.872 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 100.08 0.79 Allowed 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.723 2.282 . . . . 0.0 112.333 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 7.1 p -134.35 128.36 51.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.11 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 21.9 tptm -79.24 114.86 18.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.885 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' TRP . . . . . 0.511 ' CZ3' ' HB3' ' A' ' 28' ' ' CYS . 78.2 m95 -80.86 123.38 28.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.932 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 55.1 mm-40 -106.65 159.12 16.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.901 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 21.3 m120 -60.35 151.0 28.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.896 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 54.38 51.53 14.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.903 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 26.0 mmm -119.81 166.92 12.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.874 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -118.75 132.17 56.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.892 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.511 ' HB3' ' CZ3' ' A' ' 22' ' ' TRP . 26.7 p -151.26 165.68 33.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.853 -179.895 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -104.16 113.28 26.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.114 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.587 HG21 HG11 ' A' ' 65' ' ' VAL . 7.0 p -96.38 139.66 18.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.119 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.558 ' HB2' ' CH2' ' A' ' 38' ' ' TRP . 38.0 ttpt -98.8 133.02 43.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.886 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.541 HG22 ' H ' ' A' ' 35' ' ' LYS . 17.5 mt -79.97 145.8 8.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.154 179.862 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 12.3 pt20 -91.11 -39.44 12.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.873 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -75.55 -39.73 57.83 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.879 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.541 ' H ' HG22 ' A' ' 32' ' ' ILE . 12.5 mtmm -99.12 179.87 4.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.89 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -123.45 41.22 3.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.911 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 82.4 mt-30 -121.08 179.32 4.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.884 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' TRP . . . . . 0.558 ' CH2' ' HB2' ' A' ' 31' ' ' LYS . 57.1 m95 -124.93 117.4 23.98 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.941 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.407 ' O ' ' N ' ' A' ' 30' ' ' VAL . 97.1 mtt180 -114.75 163.89 14.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.861 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 1.2 mpp_? -106.4 151.74 24.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.88 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -141.65 159.47 26.84 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.45 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.476 ' O ' ' N ' ' A' ' 44' ' ' ILE . 40.8 tt0 -108.33 115.63 30.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.748 0.309 . . . . 0.0 110.895 -179.864 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 50.0 mm -45.5 91.01 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.106 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.714 HD11 ' HB2' ' A' ' 55' ' ' LEU . 22.3 mt -68.94 -63.97 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.12 179.853 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.4 ' O ' ' CG ' ' A' ' 45' ' ' ARG . 15.5 ptt180 -162.57 125.1 2.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.866 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 23.9 mtp -65.31 111.27 2.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.885 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.651 HG12 HG23 ' A' ' 48' ' ' THR . 48.2 t -74.23 -66.25 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.109 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.651 HG23 HG12 ' A' ' 47' ' ' VAL . 29.7 p -127.26 -178.51 4.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.112 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -71.48 -2.92 18.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.886 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.589 ' O ' HG22 ' A' ' 67' ' ' VAL . 46.1 p -128.23 -28.73 2.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.164 -179.883 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 62.0 mt -104.79 150.28 24.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.908 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.713 ' O ' HG23 ' A' ' 64' ' ' VAL . 34.7 t -148.9 134.86 12.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.114 179.838 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.437 ' O ' ' N ' ' A' ' 44' ' ' ILE . 10.5 tt0 -84.43 122.13 28.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.892 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 2.6 m -126.13 158.23 35.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.121 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.714 ' HB2' HD11 ' A' ' 44' ' ' ILE . 7.9 tp -115.59 122.16 44.81 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.889 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.532 HD12 ' HB ' ' A' ' 61' ' ' VAL . 35.3 mt -78.61 49.26 0.86 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.95 179.869 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.431 ' C ' ' O ' ' A' ' 56' ' ' LEU . 42.4 p90 -36.14 -34.94 0.06 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.901 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.406 ' N ' ' O ' ' A' ' 56' ' ' LEU . 4.4 p-10 -51.27 -49.54 61.02 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.865 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.497 HG23 ' N ' ' A' ' 60' ' ' GLY . 34.2 m -101.11 -44.78 11.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.176 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' GLY . . . . . 0.497 ' N ' HG23 ' A' ' 59' ' ' VAL . . . 113.47 52.55 0.48 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.512 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.532 ' HB ' HD12 ' A' ' 56' ' ' LEU . 44.9 t -139.85 126.37 22.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.782 0.325 . . . . 0.0 111.143 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 -89.02 119.82 29.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.894 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -150.08 176.27 10.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.9 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.713 HG23 ' O ' ' A' ' 52' ' ' VAL . 2.6 p -135.33 130.34 50.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.187 179.796 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.587 HG11 HG21 ' A' ' 30' ' ' VAL . 8.2 m -122.97 174.52 7.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.144 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 9.5 t30 -85.94 134.93 33.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.956 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.589 HG22 ' O ' ' A' ' 50' ' ' THR . 4.0 m -46.59 -32.25 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.09 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -58.84 -36.35 74.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.836 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 4.9 m -79.15 -30.62 43.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.903 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.531 HD12 ' HA ' ' A' ' 67' ' ' VAL . 96.3 mt -63.13 157.53 22.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.944 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.448 ' HG3' ' CH2' ' A' ' 38' ' ' TRP . 15.3 mmt85 -141.93 152.2 43.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.906 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 19.1 mtpp -77.04 123.55 26.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.867 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 4.9 tp -76.89 115.81 17.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.929 179.874 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 52.7 mt-10 -81.48 164.38 22.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.899 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 -72.52 -35.02 67.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.876 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 35.0 m-20 -64.79 -56.34 14.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.875 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.658 HD22 ' HA ' ' A' ' 8' ' ' MET . 61.0 mt . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.931 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' MET . . . . . 0.474 ' CE ' ' HD2' ' A' ' 40' ' ' ARG . 3.6 mtp . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.74 0.305 . . . . 0.0 110.919 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.745 ' H ' HD12 ' A' ' 9' ' ' ILE . 5.3 mp -44.46 -45.28 2.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.131 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -52.81 -63.46 1.14 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.093 179.787 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -54.85 -57.18 12.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.084 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 0.523 ' HB3' ' CE2' ' A' ' 38' ' ' TRP . 30.7 m-85 -47.74 -61.12 2.1 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.9 -179.84 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -49.48 -44.63 46.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.946 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 12.5 t-20 -59.63 -43.48 93.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.877 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.1 t -69.22 173.93 5.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.875 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.444 ' O ' ' NH2' ' A' ' 71' ' ' ARG . 52.5 mttm -129.29 172.47 11.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.911 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' TRP . . . . . 0.419 ' CG ' ' N ' ' A' ' 18' ' ' GLU . 78.8 t90 -54.92 169.58 0.22 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.953 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.419 ' N ' ' CG ' ' A' ' 17' ' ' TRP . 4.7 tp10 -165.91 131.67 1.96 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.616 0.722 . . . . 0.0 110.878 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 97.81 0.65 Allowed 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.712 2.275 . . . . 0.0 112.354 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 2.7 p -133.02 132.04 58.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.127 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 14.1 ttmm -75.24 108.43 8.0 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.909 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' TRP . . . . . 0.52 ' CZ3' ' HB3' ' A' ' 28' ' ' CYS . 69.1 m95 -70.66 116.58 11.15 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.929 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.683 ' O ' HG21 ' A' ' 43' ' ' ILE . 28.0 mt-10 -96.83 167.87 10.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.92 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.422 ' O ' ' C ' ' A' ' 25' ' ' ASP . 23.7 m120 -65.95 165.49 13.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.88 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.422 ' C ' ' O ' ' A' ' 24' ' ' ASN . 5.7 m-20 35.93 53.73 0.9 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.876 179.88 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 30.8 mmm -118.5 162.92 17.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.864 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.526 ' HB3' HD22 ' A' ' 73' ' ' LEU . 6.3 m170 -109.72 135.42 50.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.851 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.52 ' HB3' ' CZ3' ' A' ' 22' ' ' TRP . 25.8 p -159.45 161.06 35.42 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.887 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -110.53 123.08 49.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.1 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.582 HG21 HG11 ' A' ' 65' ' ' VAL . 2.5 p -98.28 131.87 44.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.119 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 34.0 ttpt -95.27 131.42 41.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.938 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 19.0 mt -79.44 144.62 10.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.148 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.427 ' HG2' ' N ' ' A' ' 34' ' ' ASP . 4.9 pm0 -94.33 -30.32 14.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.427 ' N ' ' HG2' ' A' ' 33' ' ' GLN . 56.1 m-20 -85.83 -2.26 58.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.861 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 26.5 mmmt -143.13 -179.47 6.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.944 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 27.7 m-80 -119.09 28.94 7.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.899 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 2.8 tm0? -114.77 136.29 53.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.92 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' TRP . . . . . 0.523 ' CE2' ' HB3' ' A' ' 12' ' ' TYR . 16.3 m95 -87.53 119.25 27.63 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.886 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.428 ' O ' ' N ' ' A' ' 30' ' ' VAL . 21.0 mmt-85 -104.01 155.83 18.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.845 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.474 ' HD2' ' CE ' ' A' ' 8' ' ' MET . 2.0 mpp_? -101.93 152.36 21.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.879 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -151.97 154.34 25.48 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.483 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.46 ' O ' ' N ' ' A' ' 44' ' ' ILE . 56.2 tt0 -109.6 114.71 28.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.741 0.305 . . . . 0.0 110.917 -179.848 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.683 HG21 ' O ' ' A' ' 23' ' ' GLU . 49.8 mm -42.56 93.27 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.143 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.871 HD11 ' HB2' ' A' ' 55' ' ' LEU . 53.1 mt -72.1 -68.07 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.142 179.837 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 5.2 ptm180 -156.72 127.52 6.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.876 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.539 ' HG2' HG22 ' A' ' 52' ' ' VAL . 16.7 mtp -69.81 119.68 14.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.905 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.531 HG12 HG23 ' A' ' 48' ' ' THR . 43.5 t -84.68 -63.19 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.152 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.531 HG23 HG12 ' A' ' 47' ' ' VAL . 18.1 p -127.94 -176.13 3.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.153 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -74.94 -5.2 42.53 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.856 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.425 ' O ' HG22 ' A' ' 67' ' ' VAL . 42.7 p -125.36 -26.61 3.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.106 -179.85 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.431 ' O ' HG23 ' A' ' 52' ' ' VAL . 96.1 mt -104.87 155.69 18.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.903 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.806 ' O ' HG23 ' A' ' 64' ' ' VAL . 20.6 t -156.15 133.4 2.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.142 179.792 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -84.3 122.65 29.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.903 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 2.8 m -125.98 158.69 35.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.095 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.871 ' HB2' HD11 ' A' ' 44' ' ' ILE . 6.9 tp -117.24 120.13 37.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.917 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.667 HD12 ' HB ' ' A' ' 61' ' ' VAL . 24.4 mt -76.94 47.76 0.54 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.927 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.436 ' C ' ' O ' ' A' ' 56' ' ' LEU . 53.0 p90 -35.72 -35.26 0.06 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.931 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.407 ' N ' ' O ' ' A' ' 56' ' ' LEU . 1.1 t70 -51.36 -49.37 61.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.879 179.897 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.491 HG23 ' N ' ' A' ' 60' ' ' GLY . 34.5 m -99.79 -44.52 11.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.148 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' GLY . . . . . 0.491 ' N ' HG23 ' A' ' 59' ' ' VAL . . . 115.55 44.01 0.67 Allowed Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.478 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.667 ' HB ' HD12 ' A' ' 56' ' ' LEU . 41.1 t -133.09 124.64 50.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.834 0.35 . . . . 0.0 111.117 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -91.88 118.93 31.19 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.877 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -150.52 173.25 14.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.917 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.806 HG23 ' O ' ' A' ' 52' ' ' VAL . 4.1 p -129.08 128.99 67.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.126 179.842 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.582 HG11 HG21 ' A' ' 30' ' ' VAL . 6.3 m -122.03 171.85 10.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.092 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 11.6 t30 -81.8 136.6 35.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.857 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.425 HG22 ' O ' ' A' ' 50' ' ' THR . 24.9 m -50.51 -30.07 7.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.107 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 30.3 t0 -53.07 -39.16 63.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.868 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 21.7 m -84.78 -24.28 28.81 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.914 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.426 HD23 ' HA ' ' A' ' 70' ' ' LEU . 18.0 mt -63.79 133.1 52.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.884 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.444 ' NH2' ' O ' ' A' ' 16' ' ' LYS . 7.8 tpt85 -129.25 154.69 46.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.842 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 26.3 mtmm -71.67 141.81 49.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.892 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.526 HD22 ' HB3' ' A' ' 27' ' ' HIS . 2.5 tp -88.49 101.5 13.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.908 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 33.6 mm-40 -59.0 130.43 47.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.878 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -58.18 -29.34 65.56 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.927 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 62.1 t30 -66.31 -53.19 39.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.909 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 68.8 mt . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.955 179.912 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.9 mtp . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.741 0.305 . . . . 0.0 110.907 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.771 ' H ' HD12 ' A' ' 9' ' ' ILE . 4.8 mp -40.31 -52.11 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.11 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -51.27 -59.65 3.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.121 179.821 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -51.19 -59.88 3.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.097 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 0.495 ' O ' ' N ' ' A' ' 15' ' ' SER . 23.6 m-85 -52.57 -68.57 0.16 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.953 -179.835 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.424 ' C ' ' O ' ' A' ' 12' ' ' TYR . 1.9 tp10 -36.03 -52.86 0.77 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.907 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 9.2 t-20 -64.98 -36.59 84.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.874 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.495 ' N ' ' O ' ' A' ' 12' ' ' TYR . 3.9 p -54.64 166.68 0.43 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.876 -179.839 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.0 ptpt -126.3 148.05 49.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.909 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' TRP . . . . . 0.42 ' CH2' ' HA ' ' A' ' 19' ' ' PRO . 67.9 t90 -49.93 147.48 3.86 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.946 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -142.74 140.49 18.48 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.614 0.721 . . . . 0.0 110.902 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.42 ' HA ' ' CH2' ' A' ' 17' ' ' TRP . 53.8 Cg_endo -69.79 96.93 0.61 Allowed 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.64 2.227 . . . . 0.0 112.354 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.739 HG21 ' HD3' ' A' ' 72' ' ' LYS . 2.4 p -130.73 134.73 61.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.119 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 15.4 ttmt -83.36 105.09 14.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.87 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' TRP . . . . . 0.441 ' CZ2' ' HB3' ' A' ' 70' ' ' LEU . 58.0 m95 -67.37 132.39 47.57 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.962 179.874 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -116.0 156.4 26.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.895 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 14.9 t-20 -59.44 148.45 32.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.872 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 17.1 t70 59.5 52.18 5.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.866 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 19.6 mmm -126.46 165.96 18.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.912 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 19.1 m170 -120.64 142.67 49.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.864 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.413 ' HB3' ' CH2' ' A' ' 22' ' ' TRP . 1.8 p -160.53 159.13 30.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.923 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.415 ' CB ' ' CZ ' ' A' ' 12' ' ' TYR . . . -94.95 129.74 41.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.135 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.893 HG21 HG11 ' A' ' 65' ' ' VAL . 7.3 p -117.58 145.29 23.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.172 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.566 ' HB2' ' CZ2' ' A' ' 38' ' ' TRP . 25.7 ttpt -105.05 117.62 34.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.88 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.63 HG22 ' H ' ' A' ' 35' ' ' LYS . 48.4 mt -74.66 141.42 16.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.121 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -80.25 -54.41 5.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.891 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -56.74 -37.84 71.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.847 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.63 ' H ' HG22 ' A' ' 32' ' ' ILE . 6.7 mmpt? -104.84 171.1 7.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.889 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 4.9 m120 -118.07 39.16 3.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.877 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -121.35 -176.18 3.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.904 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' TRP . . . . . 0.566 ' CZ2' ' HB2' ' A' ' 31' ' ' LYS . 43.2 m95 -136.07 125.77 25.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.903 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.647 ' O ' HG12 ' A' ' 30' ' ' VAL . 5.4 ptp180 -134.15 130.59 37.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.878 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -74.53 153.2 39.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.86 -179.886 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -135.2 178.04 18.89 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.477 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.46 ' O ' ' N ' ' A' ' 44' ' ' ILE . 42.7 tt0 -115.92 115.49 26.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.794 0.331 . . . . 0.0 110.87 -179.865 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 35.3 mm -49.96 89.42 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.139 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.927 HD11 ' HB2' ' A' ' 55' ' ' LEU . 57.3 mt -65.61 -68.96 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.125 179.867 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 4.4 ptm180 -154.83 124.79 6.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.872 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.636 ' HG2' HG22 ' A' ' 52' ' ' VAL . 17.0 mtp -67.6 117.69 9.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.883 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.606 HG12 HG23 ' A' ' 48' ' ' THR . 34.7 t -78.73 -62.34 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.161 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.606 HG23 HG12 ' A' ' 47' ' ' VAL . 37.8 p -134.03 -175.37 3.82 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.17 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -72.09 -9.53 58.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.885 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 25.1 p -125.63 -7.31 6.83 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.137 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 55.6 mt -122.74 151.28 41.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.878 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.773 ' O ' HG23 ' A' ' 64' ' ' VAL . 56.7 t -155.32 130.63 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.1 179.803 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 13.7 tt0 -84.44 120.77 26.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.903 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 3.5 m -122.33 160.49 24.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.172 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.927 ' HB2' HD11 ' A' ' 44' ' ' ILE . 7.9 tp -119.8 120.3 36.1 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.913 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.474 ' HB3' HG22 ' A' ' 59' ' ' VAL . 41.9 mt -76.92 47.75 0.54 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.898 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.422 ' C ' ' O ' ' A' ' 56' ' ' LEU . 30.7 p90 -35.69 -34.68 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.927 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.424 ' N ' ' O ' ' A' ' 56' ' ' LEU . 4.9 t0 -52.53 -49.85 64.03 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.867 179.879 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.492 HG23 ' N ' ' A' ' 60' ' ' GLY . 34.3 m -97.8 -44.14 12.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.146 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' GLY . . . . . 0.492 ' N ' HG23 ' A' ' 59' ' ' VAL . . . 113.73 47.42 0.62 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.479 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 42.8 t -137.1 126.5 36.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.751 0.31 . . . . 0.0 111.133 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -91.18 119.31 31.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.881 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -150.91 174.57 12.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.943 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.773 HG23 ' O ' ' A' ' 52' ' ' VAL . 3.6 p -130.98 124.32 55.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.094 179.892 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.893 HG11 HG21 ' A' ' 30' ' ' VAL . 8.3 m -112.6 169.93 4.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.108 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 3.6 t30 -83.92 134.75 34.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.876 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 19.4 m -46.84 -20.35 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.178 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -64.22 -38.9 92.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.912 179.874 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 13.1 m -82.42 -24.94 34.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.856 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.441 ' HB3' ' CZ2' ' A' ' 22' ' ' TRP . 43.4 mt -64.25 137.02 57.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.891 -179.903 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 17.3 mmt85 -136.09 152.63 51.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.907 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.739 ' HD3' HG21 ' A' ' 20' ' ' VAL . 5.4 mmmm -71.35 119.56 15.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.903 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 5.8 tp -62.8 94.39 0.07 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.889 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -53.65 163.91 0.61 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.857 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -78.44 -49.89 12.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.854 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 12.3 m-20 -55.59 -52.53 63.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.886 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 69.7 mt . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.882 179.986 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 7.4 mtp . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.751 0.31 . . . . 0.0 110.891 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.749 ' H ' HD12 ' A' ' 9' ' ' ILE . 5.3 mp -48.16 -48.66 12.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.163 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.26 -56.54 18.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.129 179.816 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -56.2 -58.35 8.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.075 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 46.8 m-85 -53.38 -39.5 64.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.914 -179.855 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.669 ' OE2' HG22 ' A' ' 9' ' ' ILE . 20.6 mt-10 -67.47 -41.24 84.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.857 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 39.7 t30 -63.78 -45.34 90.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.899 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 11.1 t -59.65 177.81 0.19 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 26.2 mtpt -129.51 -176.08 3.78 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.924 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 75.2 t90 -68.82 159.1 33.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.924 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.423 ' CD ' ' HD2' ' A' ' 19' ' ' PRO . 6.1 tp10 -164.7 137.83 3.87 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.617 0.722 . . . . 0.0 110.919 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.423 ' HD2' ' CD ' ' A' ' 18' ' ' GLU . 53.7 Cg_endo -69.76 98.3 0.68 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.66 2.24 . . . . 0.0 112.351 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.716 HG11 ' HD2' ' A' ' 72' ' ' LYS . 2.8 p -129.61 107.85 15.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.147 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 15.5 ttmt -60.44 113.47 2.43 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.876 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' TRP . . . . . 0.484 ' HB3' HD12 ' A' ' 43' ' ' ILE . 83.1 m95 -77.25 114.88 16.54 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.885 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.529 ' O ' HG21 ' A' ' 43' ' ' ILE . 54.9 mt-10 -89.32 159.21 17.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.865 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -66.81 149.62 50.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.892 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 59.27 50.21 8.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.851 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 13.5 mmm -120.92 167.74 12.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.851 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 67.6 m170 -118.0 132.8 56.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.822 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 4.2 p -152.55 170.28 20.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.931 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -110.92 113.9 26.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.089 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.784 HG21 HG11 ' A' ' 65' ' ' VAL . 1.3 p -90.4 142.32 13.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.148 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.574 ' HB2' ' CH2' ' A' ' 38' ' ' TRP . 24.2 tttp -97.07 126.01 41.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.94 179.895 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.437 HD12 ' O ' ' A' ' 37' ' ' GLN . 11.2 mt -78.52 143.98 11.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.157 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 5.9 mm-40 -75.19 -75.23 0.18 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.919 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -60.53 -40.98 93.46 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.853 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.431 ' CB ' HG21 ' A' ' 32' ' ' ILE . 0.8 OUTLIER -83.98 150.36 25.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.906 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 48.8 m-20 -109.04 35.75 3.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.854 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.437 ' O ' HD12 ' A' ' 32' ' ' ILE . 5.1 tt0 -122.2 133.4 54.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.926 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' TRP . . . . . 0.574 ' CH2' ' HB2' ' A' ' 31' ' ' LYS . 66.5 m95 -83.5 121.95 27.89 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.894 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.476 ' CZ ' ' HA ' ' A' ' 39' ' ' ARG . 1.0 OUTLIER -108.97 -176.34 3.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.841 -179.964 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 42.4 mtt180 -120.0 144.81 47.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.863 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -140.36 153.55 23.56 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.527 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.463 ' HB2' ' CD1' ' A' ' 57' ' ' TYR . 48.4 tt0 -106.74 115.94 31.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.77 0.319 . . . . 0.0 110.911 -179.866 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.529 HG21 ' O ' ' A' ' 23' ' ' GLU . 48.3 mm -47.77 91.53 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.13 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.833 HD11 ' HB2' ' A' ' 55' ' ' LEU . 51.5 mt -70.17 -67.35 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.108 179.859 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 7.6 ptm180 -159.81 125.23 4.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.862 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.564 ' HG2' HG22 ' A' ' 52' ' ' VAL . 37.8 mtp -67.35 118.68 11.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.869 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.558 HG12 HG23 ' A' ' 48' ' ' THR . 47.3 t -81.85 -70.15 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.156 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.558 HG23 HG12 ' A' ' 47' ' ' VAL . 59.1 p -117.4 -179.45 3.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.175 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -71.33 -8.4 53.45 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.902 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 38.6 p -125.98 -12.06 6.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.12 -179.872 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.416 HD23 ' OD1' ' A' ' 66' ' ' ASN . 24.0 mt -116.33 154.61 29.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.867 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.769 ' O ' HG23 ' A' ' 64' ' ' VAL . 30.7 t -155.69 133.7 2.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.099 179.845 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -84.29 123.44 30.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.922 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 2.7 m -127.93 159.84 38.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.116 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.833 ' HB2' HD11 ' A' ' 44' ' ' ILE . 9.9 tp -119.06 121.64 40.29 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.932 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.616 HD12 ' HB ' ' A' ' 61' ' ' VAL . 28.8 mt -76.21 48.64 0.52 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.939 179.853 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.463 ' CD1' ' HB2' ' A' ' 42' ' ' GLN . 38.3 p90 -37.02 -29.09 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.919 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.488 ' N ' ' O ' ' A' ' 56' ' ' LEU . 6.9 t70 -57.77 -49.93 74.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.85 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.452 HG23 ' N ' ' A' ' 60' ' ' GLY . 34.2 m -99.44 -42.11 10.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.131 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' GLY . . . . . 0.452 ' N ' HG23 ' A' ' 59' ' ' VAL . . . 111.86 48.87 0.65 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.471 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.616 ' HB ' HD12 ' A' ' 56' ' ' LEU . 40.3 t -136.67 124.83 34.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.798 0.333 . . . . 0.0 111.141 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -88.78 120.46 30.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.889 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -153.24 175.77 12.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.897 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.769 HG23 ' O ' ' A' ' 52' ' ' VAL . 2.7 p -133.98 124.59 47.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.126 179.834 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.784 HG11 HG21 ' A' ' 30' ' ' VAL . 4.0 m -114.4 177.31 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.109 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' ASN . . . . . 0.416 ' OD1' HD23 ' A' ' 51' ' ' LEU . 4.5 t30 -89.88 138.96 31.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.844 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 15.3 m -52.81 -25.72 9.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.112 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -63.13 -27.96 69.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.878 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 17.5 m -97.66 -5.81 34.55 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.887 -179.882 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 22.1 mt -81.13 138.71 35.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.977 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.468 ' HG3' ' CZ3' ' A' ' 38' ' ' TRP . 4.2 mmp_? -124.75 156.29 37.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.873 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.716 ' HD2' HG11 ' A' ' 20' ' ' VAL . 0.0 OUTLIER -88.05 121.92 31.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.894 179.968 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 1.5 tp -73.22 117.98 15.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.912 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -76.81 172.03 13.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.857 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 15.6 tt0 -80.8 -40.35 25.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.9 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -69.1 -55.02 11.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.906 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 32.7 mt . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.913 179.988 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 8' ' ' MET . . . . . 0.708 ' HA ' HD13 ' A' ' 77' ' ' LEU . 2.1 mtp . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.749 0.309 . . . . 0.0 110.894 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.759 ' H ' HD12 ' A' ' 9' ' ' ILE . 4.5 mp -45.22 -48.41 3.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.116 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -50.28 -63.03 1.24 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.099 179.817 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.687 ' HB3' HD11 ' A' ' 77' ' ' LEU . . . -53.22 -60.21 3.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.069 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 30.4 m-85 -45.38 -42.14 9.83 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.927 -179.85 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 10.3 tm-20 -62.9 -54.81 32.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.875 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 14.6 t-20 -55.41 -48.86 73.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.891 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 5.8 t -58.83 120.99 10.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.869 -179.835 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 11.0 ptpt -79.24 145.83 33.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.903 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' TRP . . . . . 0.462 ' CD1' ' HA ' ' A' ' 68' ' ' ASP . 85.1 t90 -46.75 158.98 0.11 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.932 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -152.33 140.48 13.43 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.601 0.715 . . . . 0.0 110.912 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 100.23 0.81 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.689 2.259 . . . . 0.0 112.315 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 2.1 p -133.44 127.48 53.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.144 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 19.0 tptt -76.06 110.94 10.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.88 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' TRP . . . . . 0.492 ' CZ3' ' HB3' ' A' ' 28' ' ' CYS . 95.6 m95 -72.71 139.64 47.34 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.917 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -117.95 151.72 36.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.913 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 7.3 t-20 -59.06 147.73 33.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.91 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 26.7 t70 63.27 49.33 3.31 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.814 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 31.7 mtp -125.32 166.81 15.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.875 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -119.0 147.3 44.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.865 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.492 ' HB3' ' CZ3' ' A' ' 22' ' ' TRP . 24.0 p -170.63 175.47 4.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.884 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -112.88 152.26 29.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.107 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.876 HG21 HG11 ' A' ' 65' ' ' VAL . 4.9 p -135.86 156.77 37.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.135 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.565 ' HB2' ' CZ2' ' A' ' 38' ' ' TRP . 23.2 ttpt -103.8 121.42 43.0 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.895 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.588 HG22 ' H ' ' A' ' 35' ' ' LYS . 45.6 mt -70.69 138.8 21.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.143 179.863 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 30.0 mm-40 -74.66 -64.1 1.11 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.94 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -57.64 -40.41 79.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.858 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.588 ' H ' HG22 ' A' ' 32' ' ' ILE . 8.0 mmmm -96.11 175.08 6.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.872 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 5.3 m-80 -119.9 29.56 7.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.907 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 43.9 mt-30 -109.99 -179.19 3.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.891 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' TRP . . . . . 0.565 ' CZ2' ' HB2' ' A' ' 31' ' ' LYS . 16.5 m95 -129.51 110.01 11.51 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.906 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.433 ' O ' HG12 ' A' ' 30' ' ' VAL . 74.4 mtt180 -103.84 155.28 18.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.899 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 79.5 mtm180 -92.02 159.1 15.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -151.46 161.11 29.05 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.517 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.428 ' O ' ' N ' ' A' ' 44' ' ' ILE . 40.1 tt0 -109.38 116.88 32.67 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.756 0.312 . . . . 0.0 110.927 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 44.1 mm -45.04 93.76 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.138 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.843 HD11 ' HB2' ' A' ' 55' ' ' LEU . 47.1 mt -71.49 -65.09 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.136 179.858 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 4.5 ptm180 -161.53 126.44 3.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.837 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.749 ' HG2' HG22 ' A' ' 52' ' ' VAL . 35.8 mtp -68.99 125.17 25.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.913 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.655 HG12 HG23 ' A' ' 48' ' ' THR . 61.2 t -90.52 -64.64 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.142 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.655 HG23 HG12 ' A' ' 47' ' ' VAL . 39.0 p -126.57 179.21 5.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.131 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.502 ' OD1' HG23 ' A' ' 50' ' ' THR . 0.7 OUTLIER -70.99 -9.35 57.85 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.901 179.917 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.502 HG23 ' OD1' ' A' ' 49' ' ' ASP . 17.6 p -126.15 -0.38 7.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.124 -179.863 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.495 ' O ' HG23 ' A' ' 52' ' ' VAL . 28.0 mt -130.56 154.77 47.49 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.875 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.749 HG22 ' HG2' ' A' ' 46' ' ' MET . 38.3 t -158.09 134.65 2.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.148 179.801 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 15.1 tt0 -86.02 125.92 33.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.92 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 3.2 m -127.59 165.35 26.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.131 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.843 ' HB2' HD11 ' A' ' 44' ' ' ILE . 4.6 tp -121.04 120.41 35.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.889 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.49 ' O ' ' N ' ' A' ' 58' ' ' ASP . 19.0 mt -75.72 48.91 0.49 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.965 179.868 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.456 ' C ' ' O ' ' A' ' 56' ' ' LEU . 30.9 p90 -33.89 -34.19 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.908 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.49 ' N ' ' O ' ' A' ' 56' ' ' LEU . 5.9 p-10 -50.32 -51.12 48.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.86 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 34.2 m -100.92 -38.08 5.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.129 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 111.91 38.82 1.36 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.523 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 43.2 t -130.64 125.64 59.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.755 0.312 . . . . 0.0 111.121 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.785 ' HG3' HD13 ' A' ' 55' ' ' LEU . 3.7 mp0 -93.05 117.55 30.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.897 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.457 HD22 ' HG ' ' A' ' 56' ' ' LEU . 1.0 OUTLIER -139.49 174.25 10.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.861 -179.924 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -125.44 123.63 65.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.126 179.839 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.876 HG11 HG21 ' A' ' 30' ' ' VAL . 13.1 m -117.99 165.88 12.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.109 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 4.1 t30 -79.7 133.52 36.36 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.926 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.42 ' HA ' HD12 ' A' ' 70' ' ' LEU . 16.1 m -50.91 -23.0 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.091 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.462 ' HA ' ' CD1' ' A' ' 17' ' ' TRP . 6.0 t70 -62.93 -34.08 76.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.904 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 4.6 m -85.6 -27.7 25.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.873 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.42 HD12 ' HA ' ' A' ' 67' ' ' VAL . 41.6 mt -57.75 144.73 37.18 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.888 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.563 ' HG3' ' CH2' ' A' ' 38' ' ' TRP . 5.5 mmm180 -140.34 138.28 34.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.876 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 8.6 mmtt -60.77 134.36 57.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.908 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 8.2 tp -75.14 104.46 5.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.901 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 26.4 mm-40 -83.61 138.02 33.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.915 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -51.53 -40.64 60.05 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.87 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 5.3 t-20 -47.88 -50.18 27.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.906 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.708 HD13 ' HA ' ' A' ' 8' ' ' MET . 11.5 mt . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.937 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 3.7 mtp . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.717 0.294 . . . . 0.0 110.88 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.717 ' H ' HD12 ' A' ' 9' ' ' ILE . 5.2 mp -44.19 -48.25 2.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.185 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -50.69 -57.21 8.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.111 179.811 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.82 ' HB3' HD11 ' A' ' 77' ' ' LEU . . . -56.81 -59.69 4.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.1 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 0.534 ' CE1' ' OE2' ' A' ' 74' ' ' GLU . 44.0 m-85 -46.37 -51.72 14.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.914 -179.854 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.9 tm-20 -56.72 -50.21 72.87 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.89 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 38.6 m-20 -56.99 -41.67 78.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.938 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 6.4 t -65.71 151.07 47.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.849 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 58.1 mtmt -113.48 146.75 39.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.943 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 43.5 t90 -45.35 146.59 0.94 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.927 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -146.36 146.76 28.72 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-O 121.663 0.744 . . . . 0.0 110.851 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 95.85 0.57 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.661 2.24 . . . . 0.0 112.305 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.407 HG13 ' O ' ' A' ' 20' ' ' VAL . 5.1 p -132.17 120.6 44.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.121 179.878 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 25.3 ttmt -67.29 118.84 11.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.879 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 66.2 m95 -80.92 121.33 25.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.925 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 67.6 mt-10 -102.96 159.18 15.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.881 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 7.1 m120 -64.88 149.76 48.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.883 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 22.3 t0 59.55 52.86 5.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.846 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 32.2 mtp -127.06 161.8 27.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.871 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.525 ' HB3' HD22 ' A' ' 73' ' ' LEU . 60.3 m170 -107.29 145.67 32.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.835 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.531 ' SG ' HD22 ' A' ' 70' ' ' LEU . 24.6 p -166.79 160.69 14.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.945 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -107.76 119.78 40.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.137 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.825 HG21 HG11 ' A' ' 65' ' ' VAL . 2.1 p -102.86 146.93 10.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.124 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.564 ' HB3' ' CH2' ' A' ' 38' ' ' TRP . 7.4 pttt -102.92 138.08 40.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.861 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 13.7 mt -86.24 144.31 9.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.136 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 9.2 pt20 -83.93 -43.89 14.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.9 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -73.48 -38.24 65.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.879 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 23.7 mmtt -104.42 171.02 7.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.898 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 1.4 p-10 -114.44 23.19 13.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.88 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 54.9 mt-30 -109.33 128.2 54.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.925 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' TRP . . . . . 0.564 ' CH2' ' HB3' ' A' ' 31' ' ' LYS . 36.5 m95 -79.28 121.07 24.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.888 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 7.1 mmt85 -109.02 160.65 15.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.876 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 52.1 mtm180 -93.96 156.46 16.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.929 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -152.49 152.04 23.79 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.5 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.474 ' O ' ' N ' ' A' ' 44' ' ' ILE . 34.8 tt0 -110.47 118.82 37.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.749 0.309 . . . . 0.0 110.93 -179.873 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 35.5 mm -45.5 91.19 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.175 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.921 HD11 ' HB2' ' A' ' 55' ' ' LEU . 46.4 mt -72.0 -65.64 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.139 179.845 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.445 ' O ' ' CG ' ' A' ' 45' ' ' ARG . 6.0 ptm180 -156.85 121.27 4.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.852 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.558 ' HG2' HG22 ' A' ' 52' ' ' VAL . 23.5 mtp -67.44 110.54 3.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.926 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.628 HG12 HG23 ' A' ' 48' ' ' THR . 47.5 t -74.91 -68.28 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.155 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.628 HG23 HG12 ' A' ' 47' ' ' VAL . 14.5 p -125.18 173.92 8.43 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.135 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 32.3 m-20 -64.77 -9.14 18.18 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.912 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.401 ' O ' HG22 ' A' ' 67' ' ' VAL . 9.4 p -121.12 -24.32 5.57 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.128 -179.912 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 91.9 mt -109.34 151.88 26.01 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.937 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.802 ' C ' HG23 ' A' ' 64' ' ' VAL . 53.4 t -153.92 132.89 3.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.156 179.833 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 -84.31 124.34 31.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.875 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 2.4 m -127.43 160.13 36.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.136 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.921 ' HB2' HD11 ' A' ' 44' ' ' ILE . 8.0 tp -116.29 120.25 38.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.919 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.638 HD12 ' HB ' ' A' ' 61' ' ' VAL . 33.1 mt -76.04 48.54 0.5 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.977 179.853 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.45 ' C ' ' O ' ' A' ' 56' ' ' LEU . 43.5 p90 -34.61 -36.0 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.88 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.426 ' N ' ' O ' ' A' ' 56' ' ' LEU . 29.5 t70 -51.59 -52.24 49.03 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.897 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.498 HG23 ' N ' ' A' ' 60' ' ' GLY . 33.9 m -96.58 -44.78 12.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.156 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' GLY . . . . . 0.498 ' N ' HG23 ' A' ' 59' ' ' VAL . . . 114.4 46.62 0.62 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.485 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.638 ' HB ' HD12 ' A' ' 56' ' ' LEU . 41.1 t -135.27 127.66 47.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.815 0.34 . . . . 0.0 111.099 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -92.45 119.08 31.61 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.871 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.421 ' O ' HD23 ' A' ' 63' ' ' LEU . 0.7 OUTLIER -151.24 170.95 18.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.943 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.802 HG23 ' C ' ' A' ' 52' ' ' VAL . 3.8 p -124.82 128.86 73.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.162 179.819 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.825 HG11 HG21 ' A' ' 30' ' ' VAL . 17.4 m -121.66 167.9 14.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.161 179.905 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 5.6 t30 -79.39 135.76 36.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.863 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.401 HG22 ' O ' ' A' ' 50' ' ' THR . 5.5 m -44.84 -30.59 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.086 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -55.02 -40.37 70.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.871 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 69.3 m -78.15 -34.39 49.79 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.871 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.531 HD22 ' SG ' ' A' ' 28' ' ' CYS . 78.1 mt -59.37 141.48 54.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.893 -179.878 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.468 ' HA ' ' CZ ' ' A' ' 71' ' ' ARG . 1.4 mmp_? -141.67 144.01 33.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.841 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 33.5 mtpt -64.12 122.12 15.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.924 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.525 HD22 ' HB3' ' A' ' 27' ' ' HIS . 6.6 tp -70.48 97.45 1.3 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.88 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 1.011 ' CD ' HD12 ' A' ' 77' ' ' LEU . 1.2 pm0 -64.94 138.03 58.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.916 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -65.22 -25.57 67.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.907 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -62.25 -55.77 25.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.877 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 1.011 HD12 ' CD ' ' A' ' 74' ' ' GLU . 78.4 mt . . . . . 0 C--N 1.328 -0.366 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.908 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.25 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.4 m 51.94 41.76 29.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.9 0.381 . . . . 0.0 110.878 -179.727 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 49.8 m -103.32 113.96 27.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.832 -179.768 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -179.75 99.85 0.13 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.48 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.7 t -123.92 91.24 3.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.887 0.375 . . . . 0.0 110.859 -179.752 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 34.0 p -86.06 104.08 15.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.882 -179.829 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -109.38 -51.37 0.67 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.44 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 2.8 mtp -58.19 -75.35 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.751 0.31 . . . . 0.0 110.917 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.794 ' H ' HD12 ' A' ' 9' ' ' ILE . 4.9 mp -49.85 -42.95 19.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.13 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -56.2 -62.89 1.4 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.118 179.78 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -55.41 -56.17 23.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.088 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.551 ' CE2' HD13 ' A' ' 77' ' ' LEU . 40.9 m-85 -52.13 -64.0 0.96 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.974 -179.896 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -43.6 -59.53 2.15 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.879 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 17.4 m-20 -53.2 -43.51 67.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.881 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.418 ' C ' ' HD2' ' A' ' 16' ' ' LYS . 1.9 m -67.7 169.31 9.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.843 -179.834 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.418 ' HD2' ' C ' ' A' ' 15' ' ' SER . 0.1 OUTLIER -127.31 149.51 50.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.884 179.937 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 17' ' ' TRP . . . . . 0.515 ' CH2' ' HA ' ' A' ' 19' ' ' PRO . 73.1 t90 -42.31 151.33 0.11 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.906 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -139.93 143.89 36.24 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.642 0.734 . . . . 0.0 110.921 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.515 ' HA ' ' CH2' ' A' ' 17' ' ' TRP . 54.0 Cg_endo -69.72 101.27 0.89 Allowed 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.677 2.251 . . . . 0.0 112.368 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.428 HG21 ' HD3' ' A' ' 72' ' ' LYS . 2.6 p -138.68 140.46 39.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.087 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 20.9 ttmt -81.85 120.03 24.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.908 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' TRP . . . . . 0.422 ' CZ3' ' HB3' ' A' ' 28' ' ' CYS . 87.9 m95 -85.32 124.76 32.31 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.882 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.479 ' O ' HG21 ' A' ' 43' ' ' ILE . 5.6 mm-40 -107.45 161.86 14.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.938 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 5.6 t-20 -66.58 147.85 52.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.86 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 35.0 t70 60.71 52.4 4.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.868 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 30.8 mtp -126.23 161.44 27.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.883 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.415 ' HB3' HD22 ' A' ' 73' ' ' LEU . 5.6 m170 -110.65 143.5 41.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.849 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.422 ' HB3' ' CZ3' ' A' ' 22' ' ' TRP . 27.9 p -163.19 175.69 10.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.872 -179.9 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -122.07 126.19 47.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.092 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.763 HG21 HG11 ' A' ' 65' ' ' VAL . 1.2 p -99.36 146.43 8.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.149 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.568 ' HB2' ' CH2' ' A' ' 38' ' ' TRP . 60.2 tttt -103.29 117.95 35.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.877 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 23.9 mt -77.25 151.54 5.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.094 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 49.9 mt-30 -89.85 -71.16 0.63 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.897 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -49.55 -28.72 5.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.896 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 53.0 mmtt -111.64 170.16 8.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.973 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -121.14 33.34 5.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.911 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 10.7 tm0? -116.69 134.86 54.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.912 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' TRP . . . . . 0.568 ' CH2' ' HB2' ' A' ' 31' ' ' LYS . 59.0 m95 -88.04 115.13 25.29 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.945 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 85.6 mtt180 -103.51 151.27 23.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.859 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.555 ' CZ ' HD11 ' A' ' 73' ' ' LEU . 46.6 mtt180 -92.49 140.2 29.81 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.883 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -134.28 162.8 24.61 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.486 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.402 ' O ' ' N ' ' A' ' 44' ' ' ILE . 31.4 tt0 -115.89 117.96 31.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.819 0.342 . . . . 0.0 110.914 -179.865 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.479 HG21 ' O ' ' A' ' 23' ' ' GLU . 51.2 mm -47.52 94.11 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.162 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.835 HD11 ' HB2' ' A' ' 55' ' ' LEU . 38.6 mt -72.71 -65.77 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.099 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 19.9 ptt180 -159.37 128.08 5.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.837 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.515 ' HG2' HG22 ' A' ' 52' ' ' VAL . 18.1 mtp -68.7 120.55 14.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.889 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.509 HG12 HG23 ' A' ' 48' ' ' THR . 40.5 t -84.63 -61.11 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.149 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.509 HG23 HG12 ' A' ' 47' ' ' VAL . 5.3 p -133.89 -177.75 4.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.129 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -69.88 -2.86 13.52 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.863 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.496 ' O ' HG22 ' A' ' 67' ' ' VAL . 13.5 p -129.92 -31.04 1.97 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.198 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.461 HD23 ' OD1' ' A' ' 66' ' ' ASN . 84.9 mt -96.85 151.79 19.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.902 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.777 ' O ' HG23 ' A' ' 64' ' ' VAL . 20.3 t -153.74 130.86 2.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.153 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 13.3 tt0 -84.22 123.85 30.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.903 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 2.7 m -128.99 163.15 34.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.117 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.835 ' HB2' HD11 ' A' ' 44' ' ' ILE . 6.4 tp -120.5 126.5 50.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.925 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.535 ' N ' HD12 ' A' ' 55' ' ' LEU . 35.5 mt -81.94 48.88 1.28 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.893 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.432 ' C ' ' O ' ' A' ' 56' ' ' LEU . 37.2 p90 -36.04 -33.91 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.94 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.434 ' N ' ' O ' ' A' ' 56' ' ' LEU . 10.1 t0 -52.82 -49.26 66.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.871 179.868 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.495 HG23 ' N ' ' A' ' 60' ' ' GLY . 34.1 m -100.2 -44.41 11.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.09 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.495 ' N ' HG23 ' A' ' 59' ' ' VAL . . . 113.97 46.82 0.64 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.488 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 38.9 t -134.41 126.11 48.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.775 0.322 . . . . 0.0 111.167 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -90.59 119.99 31.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.941 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -152.11 176.18 11.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.913 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.777 HG23 ' O ' ' A' ' 52' ' ' VAL . 3.1 p -132.84 124.94 51.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.118 179.838 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.763 HG11 HG21 ' A' ' 30' ' ' VAL . 7.2 m -114.02 176.66 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.122 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ASN . . . . . 0.461 ' OD1' HD23 ' A' ' 51' ' ' LEU . 21.5 t30 -91.43 141.05 29.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.858 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.496 HG22 ' O ' ' A' ' 50' ' ' THR . 27.8 m -57.01 -19.35 9.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.125 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.412 ' OD1' ' ND2' ' A' ' 66' ' ' ASN . 3.1 m-20 -66.55 -27.84 68.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.885 179.882 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 4.9 m -98.19 -17.03 19.23 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.897 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 25.8 mt -69.94 151.34 45.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.914 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 22.0 mmm180 -145.78 145.1 30.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.879 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.428 ' HD3' HG21 ' A' ' 20' ' ' VAL . 17.2 mmmt -69.01 135.5 50.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.907 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.555 HD11 ' CZ ' ' A' ' 40' ' ' ARG . 8.0 tp -73.46 99.08 2.9 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.875 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 37.5 mm-40 -65.09 136.47 56.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.914 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -54.69 -52.05 63.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.866 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -44.5 -52.52 7.86 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.89 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.551 HD13 ' CE2' ' A' ' 12' ' ' TYR . 74.5 mt -56.57 -37.12 70.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.917 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 8.7 ttmm -60.47 -42.94 97.27 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.913 179.829 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 39.7 p -117.84 78.9 1.29 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.132 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' MET . . . . . 0.41 ' HE1' HD23 ' A' ' 77' ' ' LEU . 24.2 tpp -91.04 119.97 31.64 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.889 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 103.22 -110.9 3.81 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.521 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 55.3 mtp180 -78.84 115.57 18.61 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.857 0.36 . . . . 0.0 110.887 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.822 HD23 ' H ' ' A' ' 83' ' ' LEU . 0.9 OUTLIER -93.07 128.6 39.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.93 -179.967 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 87.2 p -167.8 116.54 0.77 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.888 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 4.3 mm? . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.897 -179.991 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 92.6 p -146.19 159.64 43.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.895 0.378 . . . . 0.0 110.857 -179.729 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.6 m -58.37 125.31 22.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.877 -179.814 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 156.83 107.15 0.25 Allowed Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.484 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 38.1 m -43.18 108.52 0.11 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.905 0.384 . . . . 0.0 110.849 -179.723 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.4 m -156.03 113.57 3.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.852 -179.81 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -110.56 -63.42 0.51 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.507 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 2.7 mtp -51.86 -75.39 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.785 0.326 . . . . 0.0 110.919 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.784 ' H ' HD12 ' A' ' 9' ' ' ILE . 4.9 mp -46.6 -45.18 6.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.169 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -52.39 -61.03 2.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.143 179.77 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -59.82 -63.45 1.3 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.076 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 32.4 m-85 -41.99 -48.92 4.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.985 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -61.0 -47.18 87.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.908 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -57.43 -40.84 79.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.922 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 6.4 t -66.09 174.24 2.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.877 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.452 ' N ' ' HD2' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -136.96 152.06 49.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.909 179.925 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 17' ' ' TRP . . . . . 0.513 ' CD1' ' HA ' ' A' ' 68' ' ' ASP . 67.9 t90 -38.4 150.16 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.921 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -147.73 143.89 18.47 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.652 0.739 . . . . 0.0 110.884 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 99.56 0.75 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.701 2.268 . . . . 0.0 112.327 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.415 HG21 ' HD2' ' A' ' 72' ' ' LYS . 6.9 p -136.11 138.44 47.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.145 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 21.2 ttmm -81.17 110.94 17.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.908 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' TRP . . . . . 0.536 ' CZ3' ' HB3' ' A' ' 28' ' ' CYS . 74.0 m95 -77.62 113.42 15.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.879 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 80.4 mt-10 -99.77 161.19 13.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.858 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 -65.49 148.87 50.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.898 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 6.4 t70 58.12 50.26 10.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.903 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 23.8 mmm -117.91 171.84 7.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.892 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.431 ' HB3' HD22 ' A' ' 73' ' ' LEU . 7.1 m170 -116.17 135.94 53.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.83 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.536 ' HB3' ' CZ3' ' A' ' 22' ' ' TRP . 25.9 p -158.72 162.83 37.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.865 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -113.39 115.15 27.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.101 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.88 HG21 HG11 ' A' ' 65' ' ' VAL . 8.7 p -90.17 155.31 3.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.125 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.553 ' HB2' ' CH2' ' A' ' 38' ' ' TRP . 7.7 ttpm? -113.87 123.69 50.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.863 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.828 HD12 ' CG ' ' A' ' 37' ' ' GLN . 69.2 mt -72.25 140.33 18.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.142 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 4.4 mm100 -79.81 -50.45 10.51 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.877 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -61.11 -51.05 70.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.873 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.55 ' H ' HG22 ' A' ' 32' ' ' ILE . 4.1 mptp? -95.05 179.11 5.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.901 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ASN . . . . . 0.466 ' O ' ' ND2' ' A' ' 36' ' ' ASN . 0.2 OUTLIER -118.69 39.35 3.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.889 179.932 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.828 ' CG ' HD12 ' A' ' 32' ' ' ILE . 10.2 pt20 -113.89 -179.01 3.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.888 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' TRP . . . . . 0.553 ' CH2' ' HB2' ' A' ' 31' ' ' LYS . 71.3 m95 -130.87 115.17 16.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.947 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.694 ' O ' HG12 ' A' ' 30' ' ' VAL . 21.2 mmt180 -104.24 141.61 35.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.84 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 70.8 mtt180 -76.67 146.83 37.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.896 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -145.0 152.6 24.63 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.474 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.495 ' O ' ' N ' ' A' ' 44' ' ' ILE . 50.3 tt0 -113.81 117.31 31.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.811 0.338 . . . . 0.0 110.938 -179.902 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 40.5 mm -44.63 90.51 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.101 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.865 HD11 ' HB2' ' A' ' 55' ' ' LEU . 41.3 mt -71.08 -65.99 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.102 179.821 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.406 ' O ' ' CG ' ' A' ' 45' ' ' ARG . 23.7 ptt180 -156.84 122.42 4.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.855 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.535 ' HG2' HG22 ' A' ' 52' ' ' VAL . 29.5 mtp -67.46 112.63 4.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.864 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.6 HG12 HG23 ' A' ' 48' ' ' THR . 36.0 t -75.46 -66.22 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.161 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.6 HG23 HG12 ' A' ' 47' ' ' VAL . 47.5 p -128.12 -176.21 3.73 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.113 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -71.77 -8.44 54.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.862 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 45.0 p -124.46 -20.82 5.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.123 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 85.9 mt -109.69 150.91 27.59 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.911 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.79 ' O ' HG23 ' A' ' 64' ' ' VAL . 49.0 t -155.49 132.06 2.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.133 179.834 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 9.7 tt0 -84.74 125.28 32.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.925 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 3.6 m -126.85 156.36 38.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.084 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.865 ' HB2' HD11 ' A' ' 44' ' ' ILE . 10.0 tp -112.59 120.36 41.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.891 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.456 ' O ' ' C ' ' A' ' 57' ' ' TYR . 40.4 mt -77.11 48.75 0.63 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.907 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.456 ' C ' ' O ' ' A' ' 56' ' ' LEU . 44.3 p90 -34.12 -37.06 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.92 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.44 ' OD1' ' C ' ' A' ' 56' ' ' LEU . 11.3 p-10 -48.99 -55.72 11.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.9 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.477 HG23 ' N ' ' A' ' 60' ' ' GLY . 34.5 m -95.15 -43.4 12.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.112 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.477 ' N ' HG23 ' A' ' 59' ' ' VAL . . . 111.99 52.58 0.53 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.536 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 41.2 t -139.43 125.63 23.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.797 0.332 . . . . 0.0 111.098 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -88.42 120.69 30.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.887 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.415 HD22 ' HG ' ' A' ' 56' ' ' LEU . 0.8 OUTLIER -151.55 175.6 12.16 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.89 -179.964 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.79 HG23 ' O ' ' A' ' 52' ' ' VAL . 3.6 p -133.17 130.02 57.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.089 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.88 HG11 HG21 ' A' ' 30' ' ' VAL . 6.9 m -121.76 174.67 5.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.074 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ASN . . . . . 0.426 ' ND2' ' OD2' ' A' ' 68' ' ' ASP . 3.8 t30 -86.98 137.05 32.68 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.871 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 16.4 m -53.49 -37.15 29.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.098 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.513 ' HA ' ' CD1' ' A' ' 17' ' ' TRP . 0.3 OUTLIER -54.8 -17.96 4.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.873 179.918 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 6.5 m -103.26 -23.25 13.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.869 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 48.9 mt -65.1 162.98 15.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.898 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 23.9 mtp85 -158.44 143.83 16.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.822 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.415 ' HD2' HG21 ' A' ' 20' ' ' VAL . 42.6 mtpt -66.02 126.51 28.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.905 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.431 HD22 ' HB3' ' A' ' 27' ' ' HIS . 3.4 tp -65.3 106.01 1.26 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.861 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -58.16 145.31 37.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.843 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 20.5 pt-20 -69.77 -43.39 72.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.922 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 39.1 m-20 -57.55 -53.1 62.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.886 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 23.7 mt -70.59 -11.59 61.03 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.95 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 39.5 tttt -86.51 -34.78 19.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.923 179.809 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 63.7 p -69.15 -63.2 1.11 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.131 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 12.9 ptp -50.96 173.37 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.897 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 124.25 -35.64 3.16 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.455 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.435 ' O ' ' C ' ' A' ' 83' ' ' LEU . 31.1 mtt-85 48.07 41.52 15.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.836 0.35 . . . . 0.0 110.916 -179.857 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.753 ' H ' HD12 ' A' ' 83' ' ' LEU . 3.9 mp -34.51 145.8 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.922 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 25.9 p -164.22 115.55 1.3 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.857 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 8.7 mt . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.903 -179.988 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 N-CA-C 112.513 -0.235 . . . . 0.0 112.513 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 91.5 p -91.81 147.07 23.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.899 0.381 . . . . 0.0 110.854 -179.706 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.0 t -77.15 86.7 3.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.891 -179.815 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 135.17 43.01 0.11 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.519 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.4 t -90.33 140.75 29.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.905 0.383 . . . . 0.0 110.829 -179.739 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.437 ' O ' ' N ' ' A' ' 8' ' ' MET . 5.9 m -128.64 47.23 2.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.862 -179.853 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.476 ' O ' ' HB3' ' A' ' 10' ' ' ALA . . . 35.15 -95.63 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.461 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.72 ' HA ' HD13 ' A' ' 77' ' ' LEU . 1.6 mtp -38.15 -75.38 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.768 0.318 . . . . 0.0 110.914 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.766 ' H ' HD12 ' A' ' 9' ' ' ILE . 4.3 mp -46.72 -41.53 5.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.167 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.476 ' HB3' ' O ' ' A' ' 7' ' ' GLY . . . -54.88 -63.7 1.07 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.089 179.797 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.648 ' HB3' HD11 ' A' ' 77' ' ' LEU . . . -55.3 -54.86 38.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.109 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 24.7 m-85 -51.37 -44.62 62.16 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.868 -179.815 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -64.88 -55.57 18.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.837 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 8.1 t-20 -53.22 -58.15 8.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.919 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 6.8 t -40.92 157.89 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.878 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 14.9 ptpt -112.29 169.79 8.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.876 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 46.2 t90 -65.77 127.55 32.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.918 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -130.66 141.48 42.11 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.612 0.72 . . . . 0.0 110.93 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.7 101.2 0.87 Allowed 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.711 2.274 . . . . 0.0 112.353 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.436 HG21 ' HD3' ' A' ' 72' ' ' LYS . 3.5 p -131.48 132.05 62.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.122 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -80.11 119.2 22.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.94 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' TRP . . . . . 0.521 ' CZ3' ' HB3' ' A' ' 28' ' ' CYS . 63.1 m95 -83.79 101.08 11.35 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.887 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.497 ' O ' HG21 ' A' ' 43' ' ' ILE . 41.3 mt-10 -82.79 160.68 22.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.903 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 12.6 m120 -66.65 153.03 44.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.918 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 55.5 m-20 59.22 48.97 9.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.89 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 26.6 mtp -122.05 168.17 12.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.873 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 65.3 m170 -123.84 138.26 54.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.882 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.521 ' HB3' ' CZ3' ' A' ' 22' ' ' TRP . 24.4 p -156.1 166.12 34.39 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.889 -179.911 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -105.6 113.54 27.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.082 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.76 HG21 HG11 ' A' ' 65' ' ' VAL . 7.4 p -95.5 155.61 3.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.166 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.534 ' HB2' ' CH2' ' A' ' 38' ' ' TRP . 18.4 ttpt -113.68 134.07 54.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.928 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.419 HG22 ' H ' ' A' ' 35' ' ' LYS . 20.3 mt -85.22 144.5 9.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.151 179.88 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -80.03 -61.36 2.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.883 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -58.34 -48.96 78.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.867 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.419 ' H ' HG22 ' A' ' 32' ' ' ILE . 11.2 mmtp -90.28 173.69 8.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.856 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 7.6 m120 -123.19 40.65 3.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.924 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 39.7 mt-30 -120.14 126.98 52.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.912 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' TRP . . . . . 0.534 ' CH2' ' HB2' ' A' ' 31' ' ' LYS . 42.0 m95 -82.52 108.62 16.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.948 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.447 ' CZ ' HG11 ' A' ' 59' ' ' VAL . 98.2 mtt180 -103.43 179.31 4.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.828 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -113.83 160.33 18.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.896 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -150.7 158.73 27.81 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.52 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.441 ' O ' ' N ' ' A' ' 44' ' ' ILE . 46.3 tt0 -108.25 121.35 44.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.791 0.329 . . . . 0.0 110.925 -179.9 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.497 HG21 ' O ' ' A' ' 23' ' ' GLU . 49.9 mm -51.24 89.08 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.162 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.951 HD11 ' HB2' ' A' ' 55' ' ' LEU . 52.9 mt -68.1 -69.58 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.176 179.864 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 9.4 ptp180 -155.05 124.57 6.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.866 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.463 ' HG2' HG22 ' A' ' 52' ' ' VAL . 30.2 mtp -67.15 115.43 6.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.883 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 38.6 t -78.08 -63.65 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.149 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.2 p -131.05 -178.21 4.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.157 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -68.71 -11.54 60.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.883 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.542 ' O ' HG22 ' A' ' 67' ' ' VAL . 69.4 p -121.14 -28.36 4.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.151 -179.86 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 77.1 mt -101.81 150.47 23.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.933 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.812 ' O ' HG23 ' A' ' 64' ' ' VAL . 25.2 t -152.92 132.42 3.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.151 179.846 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -84.24 122.06 28.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.907 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 2.6 m -127.01 157.2 38.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.142 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.951 ' HB2' HD11 ' A' ' 44' ' ' ILE . 10.2 tp -116.07 122.53 45.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.938 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.425 ' O ' ' C ' ' A' ' 57' ' ' TYR . 41.0 mt -78.49 49.39 0.86 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.924 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.425 ' C ' ' O ' ' A' ' 56' ' ' LEU . 40.4 p90 -35.96 -36.46 0.09 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.932 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -49.68 -49.83 45.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.908 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.51 HG23 ' N ' ' A' ' 60' ' ' GLY . 34.0 m -99.63 -44.98 11.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.095 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.51 ' N ' HG23 ' A' ' 59' ' ' VAL . . . 114.04 49.99 0.52 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.466 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 42.1 t -137.31 125.11 31.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.808 0.337 . . . . 0.0 111.102 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -89.35 120.3 30.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.825 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -153.41 175.18 13.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.884 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.812 HG23 ' O ' ' A' ' 52' ' ' VAL . 3.2 p -132.72 127.07 55.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.126 179.831 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.76 HG11 HG21 ' A' ' 30' ' ' VAL . 10.7 m -117.44 170.16 7.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.128 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 31.5 t30 -84.7 131.28 34.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.946 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.542 HG22 ' O ' ' A' ' 50' ' ' THR . 25.7 m -46.73 -20.97 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.138 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -61.22 -38.76 87.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.878 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 4.1 m -87.35 -16.58 34.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.901 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.474 ' HB3' ' CZ2' ' A' ' 22' ' ' TRP . 19.4 mt -69.54 139.23 53.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.905 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 12.5 mmp_? -135.71 143.3 45.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.869 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.436 ' HD3' HG21 ' A' ' 20' ' ' VAL . 15.3 mtmm -69.1 124.12 22.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.906 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 7.4 tp -62.45 93.47 0.05 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.913 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -56.68 141.18 44.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.862 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 21.0 tt0 -68.01 -46.56 70.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.897 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -54.04 -36.21 62.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.886 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.72 HD13 ' HA ' ' A' ' 8' ' ' MET . 96.8 mt -79.66 -32.46 41.56 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.966 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 16.2 tttm -60.2 -42.12 94.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.896 179.82 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.463 HG23 ' O ' ' A' ' 79' ' ' THR . 2.8 t -131.17 86.68 2.39 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.135 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 23.0 ptp -97.89 -43.92 6.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.877 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -116.84 -102.79 2.27 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.494 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 15.4 ttm180 -111.02 137.89 48.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.839 0.352 . . . . 0.0 110.868 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.415 HD22 ' OG1' ' A' ' 79' ' ' THR . 0.3 OUTLIER -125.43 155.44 40.43 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.921 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 98.9 p -108.62 44.97 1.07 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.839 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 36.0 tp . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.894 -179.978 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.273 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.7 m -67.63 142.25 56.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.862 0.363 . . . . 0.0 110.887 -179.778 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.2 m -135.64 127.86 30.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.831 -179.763 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 175.61 130.28 1.3 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.473 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.1 m -127.6 119.34 25.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.855 0.36 . . . . 0.0 110.826 -179.722 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.1 m -84.67 83.52 7.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.914 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -103.71 -58.2 0.73 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.462 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 3.0 mtp -46.1 -75.51 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.765 0.317 . . . . 0.0 110.84 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.735 ' H ' HD12 ' A' ' 9' ' ' ILE . 5.3 mp -42.93 -45.17 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.185 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -53.84 -59.42 4.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.098 179.765 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.43 ' HB3' HD11 ' A' ' 77' ' ' LEU . . . -56.96 -58.52 7.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.106 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.453 ' HB3' ' CE2' ' A' ' 38' ' ' TRP . 37.8 m-85 -49.79 -62.95 1.27 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.896 -179.815 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -47.08 -43.96 20.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.896 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 28.2 m-20 -68.47 -23.9 64.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.846 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.1 m -79.01 -179.05 6.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.849 -179.846 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.418 ' HA ' ' NZ ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -141.22 159.51 42.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.925 179.955 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 44.9 t90 -56.74 138.63 52.66 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.94 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -135.03 144.22 49.33 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.643 0.735 . . . . 0.0 110.863 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 90.97 0.51 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.72 2.28 . . . . 0.0 112.36 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.448 HG11 ' HG3' ' A' ' 72' ' ' LYS . 7.4 p -122.16 138.56 51.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.142 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.1 ttmp? -86.53 109.26 18.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.91 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' TRP . . . . . 0.456 ' CD1' HG12 ' A' ' 67' ' ' VAL . 50.2 m95 -72.32 102.63 3.17 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.886 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.835 ' O ' HG21 ' A' ' 43' ' ' ILE . 18.3 mt-10 -86.95 177.66 7.18 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.923 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 29.3 m120 -79.69 147.47 31.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.918 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 38.6 t70 57.98 49.69 11.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.885 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 31.4 mtp -122.72 162.2 22.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.903 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 16.1 m170 -112.13 132.7 54.71 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.885 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.44 ' HB3' ' CZ3' ' A' ' 22' ' ' TRP . 24.4 p -149.41 165.74 31.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.873 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -105.4 132.85 51.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.124 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 1.8 p -107.12 130.09 59.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.106 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 13.8 tttm -101.44 126.86 48.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.864 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.57 HD11 ' NE ' ' A' ' 39' ' ' ARG . 13.6 mt -82.59 151.64 4.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.094 179.883 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 21.9 pt20 -96.39 -52.76 3.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.917 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -57.56 -17.96 16.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.841 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 21.3 mmmt -127.77 -177.98 4.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.914 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 59.0 t30 -123.99 36.87 4.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.84 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 43.3 mt-30 -117.65 151.37 37.35 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.924 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' TRP . . . . . 0.453 ' CE2' ' HB3' ' A' ' 12' ' ' TYR . 29.3 m95 -103.82 127.79 51.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.896 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.57 ' NE ' HD11 ' A' ' 32' ' ' ILE . 54.6 mtm180 -115.66 175.49 5.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.859 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 61.3 mtm180 -123.65 153.92 40.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.865 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -152.82 157.67 27.43 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.46 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.408 ' O ' ' N ' ' A' ' 44' ' ' ILE . 57.9 tt0 -108.94 114.42 28.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.78 0.324 . . . . 0.0 110.924 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.835 HG21 ' O ' ' A' ' 23' ' ' GLU . 50.1 mm -41.33 96.47 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.16 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.882 HD11 ' HB2' ' A' ' 55' ' ' LEU . 53.3 mt -74.83 -67.65 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.119 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 8.0 ptm180 -155.72 125.55 6.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.858 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.555 ' HG2' HG22 ' A' ' 52' ' ' VAL . 16.4 mtp -69.09 115.89 8.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.837 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.609 HG12 HG23 ' A' ' 48' ' ' THR . 45.9 t -80.38 -72.42 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.139 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.609 HG23 HG12 ' A' ' 47' ' ' VAL . 78.2 p -119.82 -177.37 3.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.169 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -71.4 -7.06 44.83 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.826 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.455 ' O ' HG22 ' A' ' 67' ' ' VAL . 46.3 p -125.01 -27.85 3.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.089 -179.842 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 30.7 mt -101.4 152.22 20.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.895 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.776 ' C ' HG23 ' A' ' 64' ' ' VAL . 20.2 t -154.08 133.01 3.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.097 179.844 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 9.1 tt0 -84.32 123.71 30.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.888 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 2.0 m -127.88 159.71 38.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.158 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.882 ' HB2' HD11 ' A' ' 44' ' ' ILE . 6.8 tp -116.46 120.68 39.55 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.861 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.534 HD12 ' HB ' ' A' ' 61' ' ' VAL . 37.0 mt -75.92 51.0 0.62 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.921 179.856 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.416 ' CD1' HD21 ' A' ' 83' ' ' LEU . 30.8 p90 -38.38 -31.12 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.871 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.408 ' N ' ' O ' ' A' ' 56' ' ' LEU . 8.6 p-10 -55.03 -48.01 73.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.852 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.496 HG23 ' N ' ' A' ' 60' ' ' GLY . 27.7 m -102.99 -45.1 10.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.181 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.496 ' N ' HG23 ' A' ' 59' ' ' VAL . . . 115.65 48.79 0.49 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.493 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.534 ' HB ' HD12 ' A' ' 56' ' ' LEU . 39.2 t -136.58 124.7 34.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.786 0.327 . . . . 0.0 111.152 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 51.3 mt-10 -89.22 120.62 30.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.864 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -151.95 174.4 13.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.922 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.776 HG23 ' C ' ' A' ' 52' ' ' VAL . 3.7 p -130.62 127.67 62.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.126 179.805 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 4.1 m -119.65 172.21 7.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.108 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 14.3 t30 -86.5 131.7 34.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.93 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.487 ' HA ' HD12 ' A' ' 70' ' ' LEU . 19.6 m -45.92 -25.77 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.154 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -57.86 -39.94 78.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.852 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 3.5 m -82.98 -29.08 29.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.872 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.487 HD12 ' HA ' ' A' ' 67' ' ' VAL . 71.7 mt -61.8 145.23 53.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.871 -179.883 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 7.8 tpp180 -136.54 148.84 47.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.858 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.448 ' HG3' HG11 ' A' ' 20' ' ' VAL . 12.7 mtpt -68.0 137.22 54.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.926 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.446 HD12 ' OH ' ' A' ' 12' ' ' TYR . 3.0 tp -85.23 97.96 10.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.928 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -60.62 156.26 17.0 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.925 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 -72.67 -39.18 67.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.896 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -51.16 -36.66 42.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.903 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.43 HD11 ' HB3' ' A' ' 11' ' ' ALA . 92.2 mt -90.93 -7.33 52.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.875 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 20.5 ttpt -82.51 -49.72 9.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.886 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 1.1 t -56.72 -14.6 3.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.172 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 1.9 ptm -129.21 112.71 14.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.849 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 101.43 92.98 2.17 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.489 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 44.0 ptt85 -139.19 167.01 23.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.847 0.356 . . . . 0.0 110.864 -179.837 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.416 HD21 ' CD1' ' A' ' 57' ' ' TYR . 0.6 OUTLIER -49.74 109.23 0.26 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.916 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 27.7 t -155.1 113.34 3.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.891 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 36.9 tp . . . . . 0 C--N 1.328 -0.352 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.938 180.0 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.361 0 N-CA-C 112.507 -0.237 . . . . 0.0 112.507 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.9 m -62.25 -50.24 72.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.886 0.374 . . . . 0.0 110.901 -179.777 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.2 t -85.69 108.55 18.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.879 -179.856 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 101.17 123.51 5.2 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.475 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.0 t -41.67 97.6 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.871 0.367 . . . . 0.0 110.884 -179.785 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 72.4 m -108.01 103.09 12.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.864 -179.803 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -105.46 -58.53 0.65 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.504 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.9 mtp -53.2 -75.39 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.796 0.331 . . . . 0.0 110.882 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.794 ' H ' HD12 ' A' ' 9' ' ' ILE . 4.9 mp -43.68 -56.92 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.14 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.436 ' O ' ' CB ' ' A' ' 14' ' ' ASN . . . -46.07 -51.67 13.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.063 179.821 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -57.35 -60.26 3.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.146 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.63 ' CZ ' HD13 ' A' ' 77' ' ' LEU . 25.2 m-85 -53.22 -66.15 0.44 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.891 -179.88 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -49.22 -33.12 11.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.864 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.436 ' CB ' ' O ' ' A' ' 10' ' ' ALA . 6.5 t-20 -72.17 -36.22 69.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.845 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.4 t -80.59 176.5 9.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 27.1 mtmt -121.04 173.17 7.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.917 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' TRP . . . . . 0.493 ' CH2' ' HA ' ' A' ' 19' ' ' PRO . 89.4 t90 -60.36 157.41 13.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.854 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.427 ' CD ' ' HD2' ' A' ' 19' ' ' PRO . 7.8 tp10 -147.96 137.64 12.29 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.657 0.742 . . . . 0.0 110.923 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.493 ' HA ' ' CH2' ' A' ' 17' ' ' TRP . 53.9 Cg_endo -69.76 92.38 0.51 Allowed 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.683 2.255 . . . . 0.0 112.328 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 2.5 p -129.76 126.49 62.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.135 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 9.9 tptp -73.25 112.79 9.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.871 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 58.0 m95 -75.43 117.71 17.51 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.906 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 66.5 mt-10 -108.04 151.42 25.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.869 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -56.64 161.22 2.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.907 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 26.6 t0 53.71 49.78 18.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.885 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 33.9 mtp -127.51 165.41 19.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.886 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 7.7 m170 -120.27 132.9 55.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.862 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 6.1 p -151.35 168.3 25.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.895 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -109.14 116.84 32.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.143 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.93 HG21 HG11 ' A' ' 65' ' ' VAL . 4.4 p -95.28 148.75 4.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.141 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.436 ' HB2' ' CH2' ' A' ' 38' ' ' TRP . 31.8 ttpt -106.33 130.1 54.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.872 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 41.0 mt -93.92 136.95 23.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.141 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 11.9 mm100 -75.74 -67.28 0.68 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.927 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 36.0 m-20 -45.33 -44.63 11.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.85 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 2.5 mppt? -97.1 173.21 7.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.857 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 14.1 t30 -122.12 31.6 6.13 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.864 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 4.8 pt20 -120.23 135.96 54.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.932 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' TRP . . . . . 0.436 ' CH2' ' HB2' ' A' ' 31' ' ' LYS . 25.0 m95 -87.52 118.84 27.26 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.903 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.414 ' CZ ' HD13 ' A' ' 56' ' ' LEU . 22.4 mtm180 -107.52 165.76 11.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.902 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 56.9 mtm180 -105.52 151.71 23.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.848 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -147.88 160.08 28.22 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.479 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 34.1 tt0 -110.32 123.26 49.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.787 0.327 . . . . 0.0 110.923 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 45.0 mm -52.05 94.1 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.084 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.837 HD11 ' HB2' ' A' ' 55' ' ' LEU . 46.5 mt -72.15 -68.13 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.115 179.835 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 17.1 ptt180 -155.42 125.83 6.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.85 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.411 ' HG2' HG22 ' A' ' 52' ' ' VAL . 47.3 mtp -68.78 119.83 13.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.885 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.721 HG12 HG23 ' A' ' 48' ' ' THR . 57.6 t -82.72 -65.43 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.132 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.721 HG23 HG12 ' A' ' 47' ' ' VAL . 73.2 p -126.89 -179.16 4.69 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.143 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 33.8 m-20 -70.05 -4.2 19.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.877 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.481 ' O ' HG22 ' A' ' 67' ' ' VAL . 45.3 p -127.99 -28.22 2.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.144 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.494 HD23 ' OD1' ' A' ' 66' ' ' ASN . 42.1 mt -101.99 153.0 20.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.956 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.773 ' O ' HG23 ' A' ' 64' ' ' VAL . 29.3 t -156.17 131.8 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.15 179.807 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 11.6 tt0 -84.33 124.1 30.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.842 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 2.0 m -125.21 166.49 20.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.126 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.837 ' HB2' HD11 ' A' ' 44' ' ' ILE . 9.3 tp -122.25 119.21 30.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.904 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.492 ' HG ' HD22 ' A' ' 63' ' ' LEU . 27.1 mt -75.86 48.74 0.49 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.91 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.441 ' C ' ' O ' ' A' ' 56' ' ' LEU . 41.6 p90 -35.15 -34.25 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.91 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.447 ' N ' ' O ' ' A' ' 56' ' ' LEU . 16.0 t70 -51.1 -50.07 59.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.86 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.453 HG23 ' N ' ' A' ' 60' ' ' GLY . 34.1 m -101.17 -41.71 8.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.123 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.453 ' N ' HG23 ' A' ' 59' ' ' VAL . . . 111.18 49.65 0.66 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.483 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 38.7 t -136.56 125.49 36.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.778 0.323 . . . . 0.0 111.109 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -87.77 121.27 29.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.902 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.492 HD22 ' HG ' ' A' ' 56' ' ' LEU . 0.9 OUTLIER -151.58 176.55 11.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.897 -179.964 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.773 HG23 ' O ' ' A' ' 52' ' ' VAL . 3.2 p -134.69 123.3 41.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.126 179.852 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.93 HG11 HG21 ' A' ' 30' ' ' VAL . 5.6 m -115.48 171.24 4.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.109 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ASN . . . . . 0.494 ' OD1' HD23 ' A' ' 51' ' ' LEU . 21.4 t30 -82.94 137.04 34.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.884 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.548 ' HA ' HD12 ' A' ' 70' ' ' LEU . 30.1 m -53.4 -36.24 26.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.149 179.881 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.478 ' OD1' ' N ' ' A' ' 69' ' ' CYS . 0.6 OUTLIER -54.89 -26.49 36.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.834 179.969 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 69' ' ' CYS . . . . . 0.478 ' N ' ' OD1' ' A' ' 68' ' ' ASP . 3.1 m -93.68 -21.43 19.36 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.91 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.548 HD12 ' HA ' ' A' ' 67' ' ' VAL . 74.2 mt -70.98 151.84 44.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.936 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 12.4 mmm180 -145.06 145.5 31.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.925 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 7.4 mtpm? -66.42 140.2 58.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.899 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 6.6 tp -83.86 110.35 18.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.898 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -68.19 155.65 39.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.884 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -53.45 -50.56 65.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.898 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 12.4 t-20 -69.97 -45.7 66.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.886 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.63 HD13 ' CZ ' ' A' ' 12' ' ' TYR . 74.6 mt -56.96 -32.4 65.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.963 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.465 ' HG3' ' N ' ' A' ' 79' ' ' THR . 0.0 OUTLIER -82.93 -30.41 28.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.887 179.796 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.465 ' N ' ' HG3' ' A' ' 78' ' ' LYS . 21.7 p -126.65 73.89 1.43 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.127 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 17.8 ttp -134.64 141.4 46.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.89 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 49.51 -137.94 19.37 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.532 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 11.5 mmm180 -111.11 162.03 15.33 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.83 0.348 . . . . 0.0 110.881 -179.836 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 5.6 mp -89.36 133.53 34.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.9 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 60.5 p -88.94 41.68 1.04 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.873 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 25.6 tp . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.913 179.996 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.372 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 72.2 m -153.71 175.25 13.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.899 0.381 . . . . 0.0 110.859 -179.748 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 60.6 p -52.61 -42.97 65.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.882 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 118.25 82.05 0.82 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.48 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 87.6 p -76.0 123.51 25.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.873 0.368 . . . . 0.0 110.869 -179.763 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.559 ' O ' ' HB2' ' A' ' 10' ' ' ALA . 53.6 p -104.45 82.69 1.95 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.884 -179.852 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -56.36 -53.89 39.88 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.488 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 5.8 mtp -49.85 -75.38 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.722 0.296 . . . . 0.0 110.88 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.762 ' H ' HD12 ' A' ' 9' ' ' ILE . 4.6 mp -48.95 -41.96 13.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.173 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.559 ' HB2' ' O ' ' A' ' 6' ' ' SER . . . -50.29 -57.94 6.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.063 179.826 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.6 -55.09 30.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.082 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.415 ' CD1' ' HD3' ' A' ' 71' ' ' ARG . 26.0 m-85 -50.55 -32.47 18.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.959 -179.863 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -76.98 -51.92 10.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.861 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -60.33 -57.43 12.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.903 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.7 t -47.18 174.93 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.851 -179.822 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.58 156.78 41.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.91 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' TRP . . . . . 0.566 ' CD1' ' HA ' ' A' ' 68' ' ' ASP . 73.6 t90 -55.39 135.93 49.87 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.953 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.43 ' CD ' ' HD2' ' A' ' 19' ' ' PRO . 5.1 tp10 -128.58 139.47 35.67 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.642 0.734 . . . . 0.0 110.918 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.43 ' HD2' ' CD ' ' A' ' 18' ' ' GLU . 52.9 Cg_endo -69.83 99.21 0.74 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.651 2.234 . . . . 0.0 112.322 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 1.5 p -129.5 135.56 61.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.147 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 14.5 tppt? -73.98 116.55 14.74 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.897 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' TRP . . . . . 0.448 ' CZ3' ' HB3' ' A' ' 28' ' ' CYS . 83.4 m95 -83.31 125.1 31.26 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.899 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -113.51 152.98 29.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.891 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 12.0 m120 -62.54 144.76 55.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.938 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 71.07 43.53 0.65 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.846 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 37.9 mtp -123.2 160.26 26.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.871 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 5.1 m170 -105.73 138.06 42.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.855 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.448 ' HB3' ' CZ3' ' A' ' 22' ' ' TRP . 31.4 p -157.67 164.35 37.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.869 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -113.81 116.56 29.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.079 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.814 HG21 HG11 ' A' ' 65' ' ' VAL . 2.2 p -92.73 144.78 8.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.143 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.573 ' HB2' ' CH2' ' A' ' 38' ' ' TRP . 24.2 ttpt -102.12 117.45 34.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.933 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 16.4 mt -69.06 139.12 20.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.125 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 11.0 mm100 -73.39 -75.28 0.15 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.927 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -51.91 -52.44 49.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.885 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -70.39 160.18 32.79 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.899 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 24.7 m-20 -113.38 36.11 3.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.864 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.449 ' CD ' ' N ' ' A' ' 38' ' ' TRP . 0.0 OUTLIER -123.91 -174.95 3.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.942 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 38' ' ' TRP . . . . . 0.573 ' CH2' ' HB2' ' A' ' 31' ' ' LYS . 40.2 m95 -130.07 119.6 23.34 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.97 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 65.1 mtt180 -109.08 155.76 20.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.908 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 1.1 mpp_? -99.83 146.4 26.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.887 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -142.25 164.87 26.82 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.512 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 39.8 tt0 -116.14 122.22 44.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.845 0.355 . . . . 0.0 110.881 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 38.0 mm -49.53 95.4 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.143 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.851 HD11 ' HB2' ' A' ' 55' ' ' LEU . 47.6 mt -74.2 -65.79 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.128 179.868 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.437 ' O ' ' CG ' ' A' ' 45' ' ' ARG . 21.2 ptt180 -157.8 121.57 4.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.899 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 28.4 mtp -65.3 116.98 7.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.905 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.671 HG12 HG23 ' A' ' 48' ' ' THR . 42.0 t -78.44 -62.85 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.176 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.671 HG23 HG12 ' A' ' 47' ' ' VAL . 24.3 p -134.47 -176.36 4.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.12 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -73.54 0.19 13.3 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.903 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.651 ' O ' HG22 ' A' ' 67' ' ' VAL . 76.9 p -128.48 -28.86 2.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.176 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.517 ' O ' HG23 ' A' ' 52' ' ' VAL . 21.4 mt -107.87 158.13 17.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.937 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.803 ' O ' HG23 ' A' ' 64' ' ' VAL . 19.9 t -158.37 133.27 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.15 179.842 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -84.29 123.55 30.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.93 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 2.8 m -124.67 163.23 25.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.12 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.851 ' HB2' HD11 ' A' ' 44' ' ' ILE . 9.4 tp -119.54 121.51 39.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.865 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.42 ' O ' ' N ' ' A' ' 58' ' ' ASP . 59.1 mt -77.96 51.7 0.99 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.938 179.864 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 44.0 p90 -38.18 -30.57 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.888 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.42 ' N ' ' O ' ' A' ' 56' ' ' LEU . 5.1 m-20 -54.91 -47.65 74.08 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.904 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.493 HG23 ' N ' ' A' ' 60' ' ' GLY . 35.0 m -104.91 -43.96 8.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.121 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.493 ' N ' HG23 ' A' ' 59' ' ' VAL . . . 113.35 51.51 0.5 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.5 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 39.9 t -137.32 126.51 35.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.815 0.34 . . . . 0.0 111.138 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -88.25 121.25 30.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.909 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -152.62 175.03 13.23 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.912 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.803 HG23 ' O ' ' A' ' 52' ' ' VAL . 2.8 p -132.61 130.36 59.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.156 179.822 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.814 HG11 HG21 ' A' ' 30' ' ' VAL . 9.5 m -121.55 170.84 11.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.11 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 3.4 t30 -80.53 136.29 36.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.917 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.651 HG22 ' O ' ' A' ' 50' ' ' THR . 6.7 m -54.22 -39.43 42.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.093 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.566 ' HA ' ' CD1' ' A' ' 17' ' ' TRP . 0.7 OUTLIER -52.65 -21.14 3.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.848 179.955 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 69' ' ' CYS . . . . . 0.491 ' N ' ' OD1' ' A' ' 68' ' ' ASP . 18.8 m -96.81 -31.56 12.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.852 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.43 HD22 ' SG ' ' A' ' 28' ' ' CYS . 64.8 mt -57.78 160.41 4.55 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.904 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.415 ' HD3' ' CD1' ' A' ' 12' ' ' TYR . 8.1 mtp85 -151.9 143.86 23.79 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.837 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 14.1 mmmt -69.11 130.63 43.26 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.856 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 1.8 tp -82.78 118.45 23.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.91 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 44.7 mm-40 -92.19 151.12 20.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.872 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.466 ' HG3' ' N ' ' A' ' 76' ' ' ASN . 12.9 pt-20 -70.06 -48.38 58.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.928 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' ASN . . . . . 0.466 ' N ' ' HG3' ' A' ' 75' ' ' GLU . 1.2 p-10 -50.87 -36.48 38.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.929 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 35.3 mt -86.0 -19.62 30.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.911 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 12.4 ttpt -66.47 -47.32 73.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.93 179.813 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.511 HG23 ' SD ' ' A' ' 80' ' ' MET . 10.0 t -57.46 -42.25 82.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.142 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' MET . . . . . 0.511 ' SD ' HG23 ' A' ' 79' ' ' THR . 3.4 mpp? -66.3 112.13 3.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.873 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 118.38 -124.32 6.02 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.443 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 27.9 ttt180 -79.31 156.75 27.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.826 0.346 . . . . 0.0 110.866 -179.828 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 40.5 mt -117.43 150.41 38.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.965 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 2.5 m -119.53 95.34 4.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.871 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.935 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 80.4 p -138.89 150.73 46.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.862 0.363 . . . . 0.0 110.893 -179.726 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 50.8 m -107.27 131.2 54.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.853 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -143.97 155.63 26.3 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.489 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 83.2 p -48.97 131.95 18.75 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.872 0.368 . . . . 0.0 110.892 -179.748 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 68.9 m -118.26 106.21 12.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.858 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -111.52 -49.89 0.63 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.465 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.9 mtp -58.97 -75.44 0.05 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.776 0.322 . . . . 0.0 110.858 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.772 ' H ' HD12 ' A' ' 9' ' ' ILE . 5.1 mp -47.08 -42.3 6.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.112 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.71 -63.56 1.25 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.078 179.826 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -49.95 -54.43 19.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.106 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.432 ' O ' ' C ' ' A' ' 13' ' ' GLU . 49.7 m-85 -57.48 -69.68 0.16 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.891 -179.839 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.432 ' C ' ' O ' ' A' ' 12' ' ' TYR . 21.0 tt0 -35.51 -51.71 0.63 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.903 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 11.9 m-20 -63.22 -46.02 88.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.857 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 22.3 t -62.8 142.97 57.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.833 -179.828 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 6.8 mtmp? -92.4 179.2 5.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.901 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' TRP . . . . . 0.447 ' CD1' ' HA ' ' A' ' 68' ' ' ASP . 89.9 t90 -71.3 161.05 31.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.905 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.432 ' CD ' ' HD2' ' A' ' 19' ' ' PRO . 25.6 tp10 -150.19 137.28 11.38 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.608 0.718 . . . . 0.0 110.874 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.432 ' HD2' ' CD ' ' A' ' 18' ' ' GLU . 53.3 Cg_endo -69.8 98.99 0.72 Allowed 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.734 2.289 . . . . 0.0 112.325 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 2.3 p -134.1 143.19 39.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.167 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 13.6 ttpp -85.86 115.74 23.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.922 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 67.5 m95 -80.65 120.68 24.89 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.899 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.49 ' O ' HG21 ' A' ' 43' ' ' ILE . 49.0 mt-10 -101.67 167.53 10.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.873 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 5.2 t-20 -74.51 148.21 41.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.909 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 71.2 m-20 62.26 45.66 6.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.863 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 29.8 mtp -118.75 162.88 17.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.868 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 6.6 m170 -112.25 142.98 44.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.872 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 14.4 p -163.61 172.11 14.79 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.902 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -115.28 120.27 39.11 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.116 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.893 HG21 HG11 ' A' ' 65' ' ' VAL . 5.6 p -98.83 151.04 4.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.082 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 20.7 ttpt -106.55 119.06 38.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.916 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 31.1 mt -69.93 142.98 15.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.142 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 43.5 mt-30 -76.3 -73.67 0.27 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.882 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 72.1 m-20 -46.66 -49.97 18.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.901 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 12.5 mmmt -87.46 -177.85 6.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.878 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 66.5 m-80 -130.15 31.03 4.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.883 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 8.6 tp60 -111.93 149.91 31.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.937 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' TRP . . . . . 0.5 ' CD1' HG23 ' A' ' 9' ' ' ILE . 65.4 m95 -97.77 121.17 39.36 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.911 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 14.8 mmt-85 -111.03 154.75 23.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.859 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 38.4 mtm180 -90.65 136.24 33.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.866 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -133.55 159.77 23.77 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.526 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.462 ' O ' ' N ' ' A' ' 44' ' ' ILE . 50.9 tt0 -117.16 119.79 36.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.82 0.343 . . . . 0.0 110.911 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.49 HG21 ' O ' ' A' ' 23' ' ' GLU . 45.0 mm -46.75 91.1 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.175 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.885 HD11 ' HB2' ' A' ' 55' ' ' LEU . 41.1 mt -70.39 -65.34 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.164 179.881 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 6.0 ptm180 -157.58 124.77 5.13 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.849 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 32.1 mtp -68.87 114.49 7.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.846 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.646 HG12 HG23 ' A' ' 48' ' ' THR . 58.4 t -79.56 -68.07 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.094 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.646 HG23 HG12 ' A' ' 47' ' ' VAL . 73.8 p -122.11 -179.29 4.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.141 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -71.26 -5.33 31.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.898 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.527 ' O ' HG22 ' A' ' 67' ' ' VAL . 63.3 p -126.5 -27.02 3.2 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.112 -179.86 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.425 HD23 ' OD1' ' A' ' 66' ' ' ASN . 43.0 mt -103.38 153.62 20.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.962 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.789 ' O ' HG23 ' A' ' 64' ' ' VAL . 73.6 t -155.97 134.0 2.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.126 179.851 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 18.1 tt0 -84.55 125.58 32.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.919 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 2.6 m -126.88 158.76 37.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.154 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.885 ' HB2' HD11 ' A' ' 44' ' ' ILE . 8.3 tp -116.1 118.7 33.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.931 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.435 ' O ' ' C ' ' A' ' 57' ' ' TYR . 36.7 mt -76.78 47.66 0.52 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.92 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.503 ' CD1' ' N ' ' A' ' 58' ' ' ASP . 25.7 p90 -35.0 -37.82 0.07 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.959 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.503 ' N ' ' CD1' ' A' ' 57' ' ' TYR . 20.1 t0 -48.43 -50.16 32.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.899 179.863 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.495 HG23 ' N ' ' A' ' 60' ' ' GLY . 34.4 m -98.88 -44.38 11.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.087 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.495 ' N ' HG23 ' A' ' 59' ' ' VAL . . . 113.44 49.95 0.54 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.737 -0.745 . . . . 0.0 112.465 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 42.7 t -138.39 125.89 28.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.786 0.327 . . . . 0.0 111.135 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 -90.42 119.35 30.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.897 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -151.48 175.23 12.5 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.867 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.789 HG23 ' O ' ' A' ' 52' ' ' VAL . 3.4 p -131.79 129.44 61.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.133 179.812 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.893 HG11 HG21 ' A' ' 30' ' ' VAL . 4.3 m -121.39 172.12 8.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.139 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ASN . . . . . 0.425 ' OD1' HD23 ' A' ' 51' ' ' LEU . 24.5 t30 -83.22 136.43 34.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.892 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.527 HG22 ' O ' ' A' ' 50' ' ' THR . 31.2 m -53.07 -36.69 25.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.156 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.447 ' HA ' ' CD1' ' A' ' 17' ' ' TRP . 0.5 OUTLIER -57.05 -21.37 30.81 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.858 179.922 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 1.8 m -96.14 -23.27 16.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.867 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 80.5 mt -68.45 152.67 45.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.966 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.488 ' HG3' ' CH2' ' A' ' 38' ' ' TRP . 8.4 mmp_? -140.65 143.7 35.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.863 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 16.5 mtpp -69.07 127.56 33.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.882 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 3.8 tp -75.06 100.56 4.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.905 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -57.43 -175.51 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.856 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -95.68 -36.94 11.02 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.903 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 17.1 t-20 -62.93 -48.21 79.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.872 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.449 HD23 ' HE3' ' A' ' 80' ' ' MET . 15.7 mt -77.14 -11.21 59.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.921 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 18.4 tttt -81.43 -39.46 24.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.881 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 13.8 t -90.48 2.9 55.26 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.111 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' MET . . . . . 0.449 ' HE3' HD23 ' A' ' 77' ' ' LEU . 33.1 mtm -102.55 69.17 1.08 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.883 179.879 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' GLY . . . . . 0.403 ' C ' ' HD2' ' A' ' 82' ' ' ARG . . . 168.68 -125.61 1.3 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.448 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.403 ' HD2' ' C ' ' A' ' 81' ' ' GLY . 7.2 mpt_? -133.6 157.97 44.38 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.855 0.359 . . . . 0.0 110.843 -179.854 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.641 ' O ' HD12 ' A' ' 83' ' ' LEU . 2.1 pp -168.76 155.88 7.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.894 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 85.2 p -114.17 81.64 1.57 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.87 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 14.1 tp . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.9 -179.98 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 N-CA-C 112.484 -0.246 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.4 m -80.8 -59.47 2.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.881 0.372 . . . . 0.0 110.891 -179.776 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 27.5 m -49.62 168.25 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.867 -179.826 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -177.54 135.35 2.72 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.461 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.6 t -86.44 41.33 0.93 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.82 0.343 . . . . 0.0 110.861 -179.737 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 21.3 m -130.82 116.21 17.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.862 -179.811 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -109.0 -57.18 0.54 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.519 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.41 ' HA ' HD22 ' A' ' 77' ' ' LEU . 1.9 mtp -56.25 -74.95 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.77 0.319 . . . . 0.0 110.848 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.746 ' H ' HD12 ' A' ' 9' ' ' ILE . 5.3 mp -46.84 -49.57 6.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.156 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -52.86 -51.73 59.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.141 179.76 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.29 -60.11 4.04 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.096 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 21.0 m-85 -48.01 -47.51 33.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.957 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.15 -53.35 59.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.877 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -55.12 -59.52 4.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.898 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.4 t -48.03 153.44 0.66 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.837 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -110.1 150.12 29.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.897 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 91.5 t90 -41.17 150.12 0.09 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.921 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.431 ' CD ' ' HD2' ' A' ' 19' ' ' PRO . 35.4 tp10 -145.16 137.39 13.29 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.64 0.733 . . . . 0.0 110.869 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.431 ' HD2' ' CD ' ' A' ' 18' ' ' GLU . 53.6 Cg_endo -69.76 93.79 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.665 2.243 . . . . 0.0 112.32 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 5.6 p -126.67 134.52 66.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.151 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 30.7 ttmt -79.42 111.27 15.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.889 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' TRP . . . . . 0.548 ' CZ2' ' HB3' ' A' ' 70' ' ' LEU . 80.4 m95 -74.29 122.77 23.39 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.891 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -106.33 151.8 24.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.91 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 30.2 m120 -61.03 143.24 55.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.822 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 26.7 t0 70.96 48.15 0.4 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.864 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 25.9 mtp -128.14 167.72 16.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.903 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 29.2 m170 -117.88 146.71 43.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.866 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.478 ' HB3' ' CZ3' ' A' ' 22' ' ' TRP . 9.0 p -163.17 163.2 25.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.873 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -107.45 124.57 50.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.086 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.894 HG21 HG11 ' A' ' 65' ' ' VAL . 6.6 p -111.09 138.99 37.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.111 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.519 ' HB2' ' CH2' ' A' ' 38' ' ' TRP . 23.9 ttpt -88.48 117.54 27.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.89 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.511 HG22 ' H ' ' A' ' 35' ' ' LYS . 79.2 mt -73.15 136.41 25.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.167 179.823 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 14.8 pt20 -79.71 -45.2 19.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.924 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -59.01 -52.04 67.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.877 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.511 ' H ' HG22 ' A' ' 32' ' ' ILE . 1.1 mptp? -98.16 -176.78 3.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.92 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 5.5 m-80 -120.06 36.44 4.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.86 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 16.0 mm100 -117.34 178.91 4.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.963 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' TRP . . . . . 0.534 ' CD1' HG23 ' A' ' 9' ' ' ILE . 52.3 m95 -124.28 110.65 14.87 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.888 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.44 ' NH1' HG11 ' A' ' 59' ' ' VAL . 4.4 mmt85 -107.57 138.33 43.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.869 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.438 ' NH1' ' HB3' ' A' ' 58' ' ' ASP . 4.8 ptt85 -92.99 145.4 24.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.855 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -134.87 172.67 21.89 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.484 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 43.6 tt0 -108.81 122.28 46.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.75 0.31 . . . . 0.0 110.929 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 47.9 mm -50.28 94.49 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.103 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.829 HD11 ' HB2' ' A' ' 55' ' ' LEU . 53.3 mt -70.89 -66.47 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.137 179.856 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 3.8 ptm180 -157.24 131.05 8.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.896 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.474 ' HG2' HG22 ' A' ' 52' ' ' VAL . 16.9 mtp -73.54 110.85 8.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.852 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 30.8 t -74.07 -65.9 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.138 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.2 p -128.62 -176.23 3.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.175 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -72.82 -2.09 19.25 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.895 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.423 ' O ' HG22 ' A' ' 67' ' ' VAL . 17.0 p -128.68 -29.31 2.39 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.127 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.444 HD23 ' OD1' ' A' ' 66' ' ' ASN . 88.2 mt -101.47 153.35 19.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.915 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.824 ' O ' HG23 ' A' ' 64' ' ' VAL . 20.3 t -154.87 132.09 2.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.127 179.782 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.416 ' O ' ' N ' ' A' ' 44' ' ' ILE . 12.9 tt0 -84.27 123.98 30.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.882 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 2.1 m -126.19 157.48 36.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.171 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.829 ' HB2' HD11 ' A' ' 44' ' ' ILE . 11.0 tp -116.01 123.09 47.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.906 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.49 ' O ' ' N ' ' A' ' 58' ' ' ASP . 23.8 mt -81.63 44.41 0.81 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.915 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.436 ' C ' ' O ' ' A' ' 56' ' ' LEU . 42.1 p90 -33.9 -33.82 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.932 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.635 ' OD2' HG13 ' A' ' 59' ' ' VAL . 5.2 p-10 -50.93 -54.85 20.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.869 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.635 HG13 ' OD2' ' A' ' 58' ' ' ASP . 26.8 m -95.65 -37.54 7.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.13 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 108.05 53.33 0.66 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.495 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 42.8 t -141.86 126.24 16.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.773 0.32 . . . . 0.0 111.142 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -91.75 118.82 31.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.885 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.455 HD23 ' C ' ' A' ' 63' ' ' LEU . 0.5 OUTLIER -150.47 175.88 11.46 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.921 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.824 HG23 ' O ' ' A' ' 52' ' ' VAL . 3.5 p -133.17 128.97 56.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.182 179.804 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.894 HG11 HG21 ' A' ' 30' ' ' VAL . 5.3 m -118.96 170.96 7.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.09 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ASN . . . . . 0.444 ' OD1' HD23 ' A' ' 51' ' ' LEU . 18.6 t30 -85.56 134.05 34.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.904 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.423 HG22 ' O ' ' A' ' 50' ' ' THR . 33.8 m -51.22 -19.11 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.153 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -62.48 -31.21 71.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.882 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 45.9 m -95.63 -19.51 19.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.894 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.548 ' HB3' ' CZ2' ' A' ' 22' ' ' TRP . 26.9 mt -61.82 145.09 53.69 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.921 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 2.2 mmp_? -139.9 146.86 39.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.89 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 28.3 mtmm -71.77 112.58 7.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.925 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 2.4 tp -64.03 94.67 0.11 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.952 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -59.79 163.24 4.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.881 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -72.76 -47.37 47.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.829 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 16.1 m-80 -57.22 -56.77 17.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.873 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.41 HD22 ' HA ' ' A' ' 8' ' ' MET . 55.8 mt -53.79 -35.95 61.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.922 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 31.2 tttp -62.64 -49.49 74.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.944 179.807 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 77.8 p -115.98 82.33 1.75 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.133 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 8.1 ptp -120.15 178.28 4.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.868 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 59.24 -143.47 46.01 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.499 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 7.3 ptt180 -63.97 149.14 47.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.891 0.377 . . . . 0.0 110.877 -179.854 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 2.4 pt? -49.02 -28.95 4.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.902 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 19.8 m -116.59 76.53 1.03 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.826 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.479 ' C ' HD12 ' A' ' 85' ' ' LEU . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.959 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.3 t -172.73 140.37 0.98 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.852 0.358 . . . . 0.0 110.871 -179.743 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 46.2 p -138.81 153.91 48.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.855 -179.796 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 157.86 105.99 0.23 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.528 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.5 t -60.66 106.08 0.52 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.828 0.347 . . . . 0.0 110.844 -179.694 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.7 m -147.61 118.41 7.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.861 -179.815 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -111.64 -62.91 0.48 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.468 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.785 ' HA ' HD22 ' A' ' 77' ' ' LEU . 2.1 mtp -53.53 -74.92 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.758 0.313 . . . . 0.0 110.859 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.76 ' H ' HD12 ' A' ' 9' ' ' ILE . 5.4 mp -47.46 -41.7 7.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.097 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.95 -59.75 4.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.152 179.814 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.419 ' HB3' HD11 ' A' ' 77' ' ' LEU . . . -56.42 -59.7 4.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.107 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 29.1 m-85 -50.08 -46.76 53.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.883 -179.795 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -54.98 -61.5 2.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.915 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 39.6 t-20 -56.02 -57.01 13.94 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.871 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.8 m -48.86 139.27 10.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.865 -179.835 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 88.6 mttt -99.66 151.65 20.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.931 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' TRP . . . . . 0.419 ' CH2' ' HA ' ' A' ' 19' ' ' PRO . 82.9 t90 -44.17 157.02 0.06 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.928 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -149.75 143.92 17.23 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.639 0.733 . . . . 0.0 110.889 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.419 ' HA ' ' CH2' ' A' ' 17' ' ' TRP . 53.8 Cg_endo -69.74 96.73 0.6 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.634 2.223 . . . . 0.0 112.358 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 5.8 p -129.39 135.65 61.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.111 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 12.8 ttmm -86.22 116.73 24.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.922 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' TRP . . . . . 0.542 ' CH2' ' HB3' ' A' ' 28' ' ' CYS . 93.3 m95 -80.83 138.38 36.22 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.898 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.476 ' O ' ' CG ' ' A' ' 26' ' ' MET . 2.5 pt-20 -125.28 136.08 53.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.879 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.412 ' C ' ' O ' ' A' ' 23' ' ' GLU . 15.4 m120 -37.15 153.02 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.909 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 38.7 m-20 56.26 50.11 13.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.835 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' MET . . . . . 0.476 ' CG ' ' O ' ' A' ' 23' ' ' GLU . 23.9 mmm -121.48 165.24 15.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.842 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 16.8 m170 -117.45 141.48 48.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.876 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.542 ' HB3' ' CH2' ' A' ' 22' ' ' TRP . 7.7 p -164.53 162.28 21.67 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.908 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -101.39 114.07 27.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.091 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.498 ' N ' ' O ' ' A' ' 39' ' ' ARG . 2.3 p -90.41 144.01 10.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.132 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.56 ' HB2' ' CH2' ' A' ' 38' ' ' TRP . 6.3 ttpm? -103.12 135.21 45.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.873 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.529 HD12 ' HB3' ' A' ' 35' ' ' LYS . 4.3 mt -88.7 149.23 4.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.144 179.855 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 15.8 pt20 -87.47 -55.71 3.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.914 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -72.61 -41.86 65.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.863 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.529 ' HB3' HD12 ' A' ' 32' ' ' ILE . 0.0 OUTLIER -78.2 157.84 29.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.858 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ASN . . . . . 0.496 ' O ' ' NE2' ' A' ' 37' ' ' GLN . 4.3 m120 -110.66 40.41 2.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.855 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.496 ' NE2' ' O ' ' A' ' 36' ' ' ASN . 5.1 mp0 -134.46 179.42 6.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.902 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' TRP . . . . . 0.56 ' CH2' ' HB2' ' A' ' 31' ' ' LYS . 43.2 m95 -120.44 117.07 26.74 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.944 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.498 ' O ' ' N ' ' A' ' 30' ' ' VAL . 13.6 mmp_? -104.22 165.82 10.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.884 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 83.1 mtm180 -116.25 144.07 44.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.837 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -136.88 161.28 25.09 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.445 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.463 ' O ' ' N ' ' A' ' 44' ' ' ILE . 34.8 tt0 -107.49 119.35 39.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.795 0.331 . . . . 0.0 110.895 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.45 ' CG1' ' HB2' ' A' ' 26' ' ' MET . 49.4 mm -48.27 89.97 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.129 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.895 HD11 ' HB2' ' A' ' 55' ' ' LEU . 41.5 mt -68.95 -66.89 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.116 179.846 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 9.0 ptm180 -156.08 127.03 6.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.862 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 19.5 mtp -69.94 112.62 6.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.861 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 12.7 t -73.98 -64.33 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.144 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 15.9 p -130.63 -177.02 4.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.144 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 27.8 m-20 -72.91 1.82 8.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.843 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.502 ' O ' HG22 ' A' ' 67' ' ' VAL . 16.8 p -131.06 -31.32 1.7 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.112 -179.884 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 51.6 mt -103.21 154.75 19.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.937 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.764 ' O ' HG23 ' A' ' 64' ' ' VAL . 54.0 t -153.66 133.96 4.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.192 179.854 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.42 ' O ' ' N ' ' A' ' 44' ' ' ILE . 11.1 tt0 -84.34 123.0 29.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.893 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 2.4 m -126.67 160.74 34.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.14 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.895 ' HB2' HD11 ' A' ' 44' ' ' ILE . 8.7 tp -119.65 121.47 39.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.928 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.584 HD12 ' HB ' ' A' ' 61' ' ' VAL . 34.4 mt -77.75 49.3 0.75 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.879 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.432 ' C ' ' O ' ' A' ' 56' ' ' LEU . 50.9 p90 -35.98 -37.35 0.1 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.952 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.498 ' OD1' ' N ' ' A' ' 58' ' ' ASP . 3.1 p-10 -49.92 -49.74 48.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.855 179.888 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.537 HG23 ' N ' ' A' ' 60' ' ' GLY . 35.4 m -99.41 -47.06 12.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.109 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.537 ' N ' HG23 ' A' ' 59' ' ' VAL . . . 116.16 48.16 0.49 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.501 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.584 ' HB ' HD12 ' A' ' 56' ' ' LEU . 38.5 t -135.76 125.04 40.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.788 0.328 . . . . 0.0 111.154 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -89.41 120.9 31.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.916 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -151.19 175.81 11.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.927 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.764 HG23 ' O ' ' A' ' 52' ' ' VAL . 3.6 p -134.42 125.89 47.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.156 179.814 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.451 HG11 HG21 ' A' ' 30' ' ' VAL . 3.9 m -118.43 172.4 5.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.132 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ASN . . . . . 0.403 HD22 ' CB ' ' A' ' 68' ' ' ASP . 12.6 t30 -84.91 136.5 33.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.915 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.502 HG22 ' O ' ' A' ' 50' ' ' THR . 15.7 m -46.89 -26.88 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.109 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.403 ' CB ' HD22 ' A' ' 66' ' ' ASN . 32.6 t0 -62.35 -37.55 86.09 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.85 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 17.8 m -80.76 -24.92 38.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.904 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.436 HD12 ' HA ' ' A' ' 67' ' ' VAL . 80.0 mt -67.11 149.7 50.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.929 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 66.6 mmt-85 -139.61 137.6 35.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.921 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 31.1 mtpt -63.94 129.24 39.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.921 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 2.3 tp -85.68 92.71 8.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.923 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.41 ' CD ' ' HG ' ' A' ' 77' ' ' LEU . 10.1 pt-20 -63.09 -178.0 0.2 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.855 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -85.26 -54.84 4.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.914 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -45.35 -58.84 3.02 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.884 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.785 HD22 ' HA ' ' A' ' 8' ' ' MET . 66.7 mt -56.55 -33.67 66.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.954 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 11.7 ttmm -61.17 -44.52 97.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.903 179.839 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 72.0 p -132.53 115.32 15.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.146 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -78.94 168.1 20.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.877 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -161.01 80.47 0.15 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.508 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 11.8 ttp85 -98.62 33.62 2.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.791 0.329 . . . . 0.0 110.868 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -98.76 -57.93 2.07 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.899 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 87.8 p -159.02 113.76 2.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.855 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 9.5 mt . . . . . 0 C--N 1.328 -0.352 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.909 179.975 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.374 0 N-CA-C 112.518 -0.233 . . . . 0.0 112.518 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.7 m -51.63 153.34 2.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.831 0.348 . . . . 0.0 110.874 -179.762 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 95.4 p -79.96 155.11 27.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.839 -179.821 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 161.61 -65.73 0.26 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.529 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 84.8 p -58.82 147.12 34.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.837 0.351 . . . . 0.0 110.878 -179.8 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 66.9 m 39.17 51.21 1.98 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.895 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -55.57 -45.99 82.86 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.488 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.751 ' HA ' HD22 ' A' ' 77' ' ' LEU . 1.8 mtp -57.36 -75.45 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.788 0.328 . . . . 0.0 110.88 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.758 ' H ' HD12 ' A' ' 9' ' ' ILE . 5.3 mp -43.53 -48.27 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.158 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.82 -63.67 1.1 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.095 179.79 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -45.06 -57.75 3.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.109 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 32.1 m-85 -56.26 -43.22 78.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.893 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -53.11 -62.27 1.76 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.89 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -60.94 -42.42 98.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.874 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 49.4 p -53.1 141.94 21.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.82 -179.841 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 8.5 ptpp? -100.6 159.18 15.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.899 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' TRP . . . . . 0.421 ' NE1' ' HA ' ' A' ' 68' ' ' ASP . 89.1 t90 -63.15 157.82 21.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.901 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -156.76 140.13 11.16 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.629 0.728 . . . . 0.0 110.849 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 94.48 0.53 Allowed 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.676 2.251 . . . . 0.0 112.37 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 3.1 p -128.85 117.16 43.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.111 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.9 tppp? -68.27 117.54 10.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.916 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 88.2 m95 -80.53 119.2 22.88 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.884 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -94.97 155.91 16.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.83 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 5.8 m120 -60.55 141.97 55.94 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.887 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 10.7 t70 70.08 50.42 0.44 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.846 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 36.8 mtp -128.96 168.98 15.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.91 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.819 ' HB3' HD22 ' A' ' 73' ' ' LEU . 13.8 m170 -117.51 141.04 48.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.822 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.417 ' SG ' HD22 ' A' ' 70' ' ' LEU . 25.7 p -153.46 177.56 10.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.894 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -122.42 120.32 33.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.118 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.855 HG21 HG11 ' A' ' 65' ' ' VAL . 5.6 p -94.97 148.58 4.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.155 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.498 ' HB2' ' CH2' ' A' ' 38' ' ' TRP . 44.4 tttt -104.99 112.92 26.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.942 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.519 HG22 ' H ' ' A' ' 35' ' ' LYS . 36.9 mt -71.41 140.77 17.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.104 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -75.35 -74.4 0.21 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.935 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -53.39 -40.96 65.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.858 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.519 ' H ' HG22 ' A' ' 32' ' ' ILE . 7.3 tptt -89.95 154.31 19.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.902 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -107.24 31.41 5.4 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.886 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 -117.92 154.71 31.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.89 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' TRP . . . . . 0.498 ' CH2' ' HB2' ' A' ' 31' ' ' LYS . 48.2 m95 -107.71 115.23 29.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.904 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.757 ' O ' HG12 ' A' ' 30' ' ' VAL . 31.0 mtm180 -106.01 134.8 48.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.852 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 21.0 ptt180 -81.31 148.89 29.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.9 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -140.21 178.46 19.87 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.477 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 38.0 tt0 -118.6 122.07 41.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.757 0.313 . . . . 0.0 110.972 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 49.0 mm -52.92 92.46 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.142 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.872 HD11 ' HB2' ' A' ' 55' ' ' LEU . 53.9 mt -71.25 -70.02 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.142 179.859 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.425 ' O ' ' CG ' ' A' ' 45' ' ' ARG . 20.5 ptt85 -152.9 122.85 6.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.871 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.663 ' HG2' HG22 ' A' ' 52' ' ' VAL . 33.8 mtp -68.27 117.61 10.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.882 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.649 HG12 HG23 ' A' ' 48' ' ' THR . 43.5 t -78.43 -71.08 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.133 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.649 HG23 HG12 ' A' ' 47' ' ' VAL . 44.6 p -122.91 -175.84 3.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.099 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -75.08 -0.08 17.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.876 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.569 ' O ' HG22 ' A' ' 67' ' ' VAL . 58.9 p -127.61 -27.37 2.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.155 -179.883 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.537 HD23 ' OD1' ' A' ' 66' ' ' ASN . 6.4 mt -108.97 159.65 16.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.875 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.809 ' O ' HG23 ' A' ' 64' ' ' VAL . 20.0 t -158.42 135.83 2.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.14 179.813 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 11.7 tt0 -85.59 123.04 30.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.938 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 2.4 m -124.76 165.92 21.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.147 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.872 ' HB2' HD11 ' A' ' 44' ' ' ILE . 6.9 tp -121.48 120.82 36.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.934 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.466 ' N ' HD12 ' A' ' 55' ' ' LEU . 30.1 mt -79.76 46.59 0.79 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.913 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.44 ' C ' ' O ' ' A' ' 56' ' ' LEU . 30.0 p90 -35.26 -36.22 0.06 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.928 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.434 ' N ' ' CD1' ' A' ' 57' ' ' TYR . 6.5 p-10 -48.69 -49.78 36.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.918 179.857 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.453 HG23 ' N ' ' A' ' 60' ' ' GLY . 35.1 m -100.83 -42.16 9.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.129 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.453 ' N ' HG23 ' A' ' 59' ' ' VAL . . . 112.76 49.16 0.6 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.513 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 43.0 t -137.36 126.69 35.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.816 0.341 . . . . 0.0 111.119 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -92.78 118.61 31.27 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.863 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.446 ' O ' HD23 ' A' ' 63' ' ' LEU . 0.5 OUTLIER -150.04 175.73 11.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.951 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.809 HG23 ' O ' ' A' ' 52' ' ' VAL . 3.5 p -131.54 133.85 61.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.093 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.855 HG11 HG21 ' A' ' 30' ' ' VAL . 5.4 m -125.54 176.64 5.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.126 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ASN . . . . . 0.537 ' OD1' HD23 ' A' ' 51' ' ' LEU . 5.5 t30 -88.18 136.74 32.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.875 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.569 HG22 ' O ' ' A' ' 50' ' ' THR . 16.1 m -52.09 -40.57 30.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.127 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.421 ' HA ' ' NE1' ' A' ' 17' ' ' TRP . 0.5 OUTLIER -53.67 -20.03 4.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.885 179.923 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 2.6 m -98.92 -23.42 15.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.873 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.417 HD22 ' SG ' ' A' ' 28' ' ' CYS . 87.2 mt -70.1 156.73 38.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.969 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 3.4 mmp_? -140.66 157.94 44.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.879 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 26.1 mtpp -77.06 117.72 18.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.94 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.819 HD22 ' HB3' ' A' ' 27' ' ' HIS . 2.1 tp -69.26 100.73 1.36 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.963 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 24.2 mm-40 -80.44 149.97 29.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.877 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 25.6 tt0 -55.21 -54.46 43.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.887 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 14.6 p-10 -47.08 -50.27 20.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.902 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.751 HD22 ' HA ' ' A' ' 8' ' ' MET . 51.3 mt -73.51 -23.34 60.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.931 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 21.1 tttt -70.76 -53.2 16.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.876 179.841 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 11.9 t -118.17 130.36 56.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.096 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 10.2 mtt -148.44 134.23 18.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.915 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 63.25 -80.44 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.465 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 17.4 mtt-85 -108.63 144.58 36.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.876 0.37 . . . . 0.0 110.857 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.788 HD23 ' H ' ' A' ' 83' ' ' LEU . 1.3 pt? -82.9 -38.09 23.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.952 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.431 ' N ' ' HG ' ' A' ' 83' ' ' LEU . 54.8 p -130.73 101.23 5.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.886 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.572 HD23 ' H ' ' A' ' 85' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.354 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.872 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.4 m -96.5 -59.87 1.73 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.909 0.385 . . . . 0.0 110.874 -179.778 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.6 t -95.75 79.72 3.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.902 -179.844 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -90.31 168.34 33.56 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.482 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 51.6 m -105.92 -49.04 3.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.901 0.381 . . . . 0.0 110.877 -179.733 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 34.6 p -69.31 -57.12 5.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.849 -179.802 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.49 ' O ' ' HB3' ' A' ' 10' ' ' ALA . . . 58.62 -102.01 0.24 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.481 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.414 ' C ' ' O ' ' A' ' 7' ' ' GLY . 4.0 mtp -36.8 -75.43 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.721 0.296 . . . . 0.0 110.843 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.783 ' H ' HD12 ' A' ' 9' ' ' ILE . 5.4 mp -42.68 -43.25 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.155 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.49 ' HB3' ' O ' ' A' ' 7' ' ' GLY . . . -56.59 -59.66 4.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.085 179.804 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -54.77 -57.27 12.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.157 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.567 ' CD1' ' HB3' ' A' ' 71' ' ' ARG . 40.2 m-85 -51.6 -57.32 9.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.917 -179.881 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 9.6 tm-20 -51.35 -54.68 23.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.853 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 8.8 t30 -54.66 -44.6 73.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.862 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.1 t -64.16 162.3 14.7 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.846 -179.825 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.3 mmmp? -116.35 173.91 6.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.861 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' TRP . . . . . 0.439 ' CH2' ' HA ' ' A' ' 19' ' ' PRO . 79.8 t90 -55.91 142.99 33.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.945 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 16.8 tp10 -135.08 134.79 21.9 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.628 0.727 . . . . 0.0 110.933 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.439 ' HA ' ' CH2' ' A' ' 17' ' ' TRP . 53.9 Cg_endo -69.72 96.5 0.59 Allowed 'Trans proline' 0 C--O 1.231 0.144 0 C-N-CA 122.744 2.296 . . . . 0.0 112.337 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 4.8 p -135.2 140.14 45.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.105 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 25.2 ttmt -88.62 114.8 25.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.886 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' TRP . . . . . 0.565 ' CZ3' ' HB3' ' A' ' 28' ' ' CYS . 78.8 m95 -76.08 113.9 14.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.943 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -95.99 158.99 15.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.859 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 8.9 m120 -59.92 157.55 12.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.908 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 46.0 49.48 12.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.918 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' MET . . . . . 0.471 ' HB2' ' CG1' ' A' ' 43' ' ' ILE . 39.7 mmm -113.38 172.84 6.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.896 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -121.68 139.86 53.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.862 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.565 ' HB3' ' CZ3' ' A' ' 22' ' ' TRP . 24.8 p -162.73 168.99 20.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.846 -179.878 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -111.17 124.25 51.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.057 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.752 HG21 HG11 ' A' ' 65' ' ' VAL . 7.2 p -106.02 154.29 7.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.148 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.438 ' N ' HG22 ' A' ' 30' ' ' VAL . 16.6 ttpp -108.93 121.31 44.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.905 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.448 HG22 ' H ' ' A' ' 35' ' ' LYS . 29.5 mt -68.64 140.72 18.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.146 179.88 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.425 ' HG3' ' N ' ' A' ' 34' ' ' ASP . 27.4 pt20 -81.54 -52.96 6.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.892 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.425 ' N ' ' HG3' ' A' ' 33' ' ' GLN . 18.1 m-20 -61.87 -46.89 87.47 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.865 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.456 ' HD3' ' N ' ' A' ' 35' ' ' LYS . 0.0 OUTLIER -98.41 -178.58 4.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.911 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 14.2 m120 -123.86 36.47 4.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.868 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 72.6 mt-30 -114.95 132.34 56.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.91 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' TRP . . . . . 0.483 ' CD1' HG23 ' A' ' 9' ' ' ILE . 42.8 m95 -82.55 111.37 18.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.88 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 5.1 mmp_? -104.79 172.15 6.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.877 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -107.0 156.92 18.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.883 -179.905 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -148.54 162.96 28.96 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.492 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.449 ' O ' ' N ' ' A' ' 44' ' ' ILE . 36.6 tt0 -116.75 118.1 31.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.779 0.323 . . . . 0.0 110.892 -179.906 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.471 ' CG1' ' HB2' ' A' ' 26' ' ' MET . 45.7 mm -47.42 91.61 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.148 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.838 HD11 ' HB2' ' A' ' 55' ' ' LEU . 54.1 mt -70.7 -66.67 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.148 179.863 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 6.4 ptm180 -154.96 121.27 5.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.875 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.559 ' HG2' HG22 ' A' ' 52' ' ' VAL . 37.2 mtp -67.77 111.98 4.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.908 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.445 HG12 HG23 ' A' ' 48' ' ' THR . 18.9 t -75.25 -68.56 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.127 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.445 HG23 HG12 ' A' ' 47' ' ' VAL . 75.0 p -125.32 172.59 9.47 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.156 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 66.9 m-20 -58.23 -12.03 3.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.914 179.844 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.483 ' O ' HG22 ' A' ' 67' ' ' VAL . 72.2 p -120.58 -35.36 3.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.169 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 68.4 mt -91.88 146.82 23.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.888 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.78 ' C ' HG23 ' A' ' 64' ' ' VAL . 37.2 t -152.75 130.27 2.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.15 179.835 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.416 ' O ' ' N ' ' A' ' 44' ' ' ILE . 12.8 tt0 -84.32 121.66 27.84 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.902 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.432 HG12 HD13 ' A' ' 43' ' ' ILE . 6.1 m -124.11 156.48 31.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.173 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.838 ' HB2' HD11 ' A' ' 44' ' ' ILE . 11.7 tp -111.85 120.67 42.72 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.918 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.421 ' O ' ' C ' ' A' ' 57' ' ' TYR . 47.8 mt -78.43 49.86 0.89 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.907 179.892 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.421 ' C ' ' O ' ' A' ' 56' ' ' LEU . 39.2 p90 -36.84 -35.52 0.09 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.919 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -50.3 -48.45 55.1 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.843 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.506 HG23 ' N ' ' A' ' 60' ' ' GLY . 33.7 m -101.51 -45.11 11.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.126 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.506 ' N ' HG23 ' A' ' 59' ' ' VAL . . . 114.75 48.24 0.55 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.516 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 43.1 t -136.09 126.25 41.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.791 0.329 . . . . 0.0 111.156 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -91.34 118.92 30.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.883 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -152.23 176.24 11.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.927 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.78 HG23 ' C ' ' A' ' 52' ' ' VAL . 3.5 p -129.66 131.34 66.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.1 179.823 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.752 HG11 HG21 ' A' ' 30' ' ' VAL . 13.6 m -124.12 164.61 22.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.124 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 25.9 t30 -78.45 132.75 37.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.855 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.483 HG22 ' O ' ' A' ' 50' ' ' THR . 19.1 m -49.39 -19.33 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.155 179.893 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -63.88 -37.15 86.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.848 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 7.9 m -85.3 -27.05 26.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.921 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 35.9 mt -61.26 138.79 58.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.927 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.567 ' HB3' ' CD1' ' A' ' 12' ' ' TYR . 51.9 mmt-85 -126.04 144.89 50.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.933 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 36.9 mtmt -71.55 118.78 14.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.932 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 3.6 tp -67.28 96.69 0.5 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.914 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 37.6 mm-40 -64.11 145.74 55.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.86 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -61.68 -26.0 67.75 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.883 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 16.3 t-20 -71.56 -59.75 2.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.889 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 81.0 mt -62.99 -29.94 71.21 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.894 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.428 ' HD2' HG23 ' A' ' 79' ' ' THR . 0.2 OUTLIER -69.3 -45.83 68.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.902 179.855 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.428 HG23 ' HD2' ' A' ' 78' ' ' LYS . 63.0 p -85.88 88.71 7.61 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.098 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 16.6 ttm -136.58 121.65 18.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.912 179.869 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' GLY . . . . . 0.448 ' O ' ' C ' ' A' ' 82' ' ' ARG . . . 71.11 171.57 11.82 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.495 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.448 ' C ' ' O ' ' A' ' 81' ' ' GLY . 0.0 OUTLIER -34.83 136.93 0.14 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.831 0.348 . . . . 0.0 110.9 -179.877 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.431 ' C ' ' O ' ' A' ' 82' ' ' ARG . 2.3 mm? -36.11 127.72 0.73 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.883 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 4.1 t -107.16 41.33 1.5 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.834 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 9.1 tp . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.903 179.958 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.365 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 80.5 p -55.06 -30.4 59.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.866 0.365 . . . . 0.0 110.869 -179.745 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.2 t -171.09 153.68 3.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.872 -179.83 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 95.39 131.77 6.68 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.483 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.7 t -136.13 108.49 7.34 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.862 0.363 . . . . 0.0 110.842 -179.704 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.7 m -113.65 41.05 2.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.823 -179.788 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -42.28 -35.71 1.9 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.49 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.85 ' HA ' HD22 ' A' ' 77' ' ' LEU . 6.2 mtp -61.61 -71.75 0.14 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.77 0.319 . . . . 0.0 110.913 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.781 ' H ' HD12 ' A' ' 9' ' ' ILE . 4.9 mp -54.42 -44.62 67.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.151 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -56.62 -49.87 73.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.119 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.8 -59.4 4.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.066 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.543 ' OH ' HD12 ' A' ' 73' ' ' LEU . 42.4 m-85 -47.75 -50.63 24.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.986 -179.893 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -60.88 -45.69 93.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.887 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -60.1 -38.11 81.97 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.885 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.2 t -72.63 179.04 3.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.897 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.413 ' O ' ' C ' ' A' ' 17' ' ' TRP . 3.7 mtmp? -136.11 144.62 45.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.892 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' TRP . . . . . 0.413 ' C ' ' O ' ' A' ' 16' ' ' LYS . 48.5 t90 -37.29 130.33 0.92 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.904 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -122.03 140.32 32.02 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.616 0.722 . . . . 0.0 110.91 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 91.42 0.51 Allowed 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.665 2.244 . . . . 0.0 112.353 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.61 HG21 ' HD3' ' A' ' 72' ' ' LYS . 4.1 p -126.56 137.73 56.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.106 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 22.2 tptp -86.25 110.82 19.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.896 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' TRP . . . . . 0.546 ' CZ3' ' HB3' ' A' ' 28' ' ' CYS . 82.4 m95 -73.04 123.44 23.54 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.928 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -107.27 156.63 18.66 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.86 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 26.9 t-20 -56.33 144.27 31.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.87 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 4.5 t70 61.66 51.92 3.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.83 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 26.8 mmm -122.8 164.59 18.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.887 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 17.7 m170 -114.55 147.82 38.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.845 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.766 ' SG ' HD22 ' A' ' 70' ' ' LEU . 26.6 p -167.05 157.88 11.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.872 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -97.37 114.94 26.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.118 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.607 HG21 HG11 ' A' ' 65' ' ' VAL . 4.6 p -89.82 149.02 4.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.098 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.529 ' HB2' ' CH2' ' A' ' 38' ' ' TRP . 36.1 tttt -108.66 125.06 51.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.916 179.864 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 39.0 mt -82.64 144.09 10.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.165 179.855 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 16.8 pt20 -91.36 -39.06 12.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.957 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -75.67 -14.71 60.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.894 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 38.1 mmtt -127.06 176.29 7.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.955 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 50.2 t30 -119.84 36.35 4.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.882 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 50.6 mt-30 -116.42 177.38 4.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.921 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' TRP . . . . . 0.529 ' CH2' ' HB2' ' A' ' 31' ' ' LYS . 52.4 m95 -129.73 111.57 12.78 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.921 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.405 ' O ' ' N ' ' A' ' 30' ' ' VAL . 97.1 mtt180 -105.42 178.21 4.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.83 -179.909 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -116.97 162.57 17.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.847 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -153.1 162.28 30.05 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.488 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 42.6 tt0 -113.1 116.2 29.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.797 0.332 . . . . 0.0 110.932 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 47.4 mm -46.24 96.53 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.096 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.942 HD11 ' HB2' ' A' ' 55' ' ' LEU . 69.6 mt -77.0 -67.65 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.153 179.823 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.424 ' O ' ' CG ' ' A' ' 45' ' ' ARG . 19.6 ptt180 -154.11 121.28 5.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 49.6 mtp -68.04 112.52 5.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.883 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.65 HG12 HG23 ' A' ' 48' ' ' THR . 78.4 t -73.7 -66.97 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.156 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.65 HG23 HG12 ' A' ' 47' ' ' VAL . 46.7 p -125.0 173.55 8.6 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.117 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 69.9 m-20 -61.35 -9.08 4.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.892 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.634 ' O ' HG22 ' A' ' 67' ' ' VAL . 15.4 p -121.73 -34.24 3.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.123 -179.9 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.446 ' O ' HG23 ' A' ' 52' ' ' VAL . 35.7 mt -95.33 154.42 17.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.904 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.768 ' C ' HG23 ' A' ' 64' ' ' VAL . 47.6 t -157.21 132.24 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.18 179.821 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 16.3 tt0 -84.31 122.68 29.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.886 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 4.8 m -124.43 162.71 25.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.117 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.942 ' HB2' HD11 ' A' ' 44' ' ' ILE . 12.4 tp -119.5 121.01 38.46 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.911 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.599 HD12 ' HB ' ' A' ' 61' ' ' VAL . 33.3 mt -77.32 47.84 0.59 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.904 179.885 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.45 ' C ' ' O ' ' A' ' 56' ' ' LEU . 47.7 p90 -34.33 -38.9 0.07 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.909 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -48.27 -51.43 25.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.869 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.512 HG23 ' N ' ' A' ' 60' ' ' GLY . 34.1 m -97.56 -45.66 12.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.121 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.512 ' N ' HG23 ' A' ' 59' ' ' VAL . . . 114.56 48.07 0.56 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.427 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.599 ' HB ' HD12 ' A' ' 56' ' ' LEU . 40.3 t -136.11 125.76 39.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.786 0.327 . . . . 0.0 111.165 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 -89.11 120.6 30.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.85 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.401 HD22 ' HG ' ' A' ' 56' ' ' LEU . 1.0 OUTLIER -150.66 176.49 10.96 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.956 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.768 HG23 ' C ' ' A' ' 52' ' ' VAL . 4.1 p -134.51 125.77 47.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.161 179.816 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.607 HG11 HG21 ' A' ' 30' ' ' VAL . 6.3 m -120.07 168.14 12.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.114 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 35.9 t30 -82.07 134.11 35.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.89 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.634 HG22 ' O ' ' A' ' 50' ' ' THR . 15.6 m -47.18 -29.16 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.152 179.878 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 15.0 t0 -58.09 -37.26 74.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.906 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 5.6 m -80.47 -34.24 36.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.888 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.766 HD22 ' SG ' ' A' ' 28' ' ' CYS . 61.4 mt -57.06 150.95 16.05 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.945 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 12.2 mmt85 -142.9 149.35 38.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.888 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.61 ' HD3' HG21 ' A' ' 20' ' ' VAL . 1.7 mmmm -66.78 132.92 49.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.906 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.543 HD12 ' OH ' ' A' ' 12' ' ' TYR . 3.7 tp -93.4 93.2 8.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -69.6 160.61 31.22 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.873 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -68.66 -38.44 80.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.843 -179.878 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 5.7 m-20 -46.12 -58.24 3.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.895 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.85 HD22 ' HA ' ' A' ' 8' ' ' MET . 11.9 mt -62.73 -34.33 76.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.924 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 21.4 ttpt -54.53 -48.37 72.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.908 179.838 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 61.3 p -92.29 52.0 1.87 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.113 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 27.4 ttp -157.28 143.6 17.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.868 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 86.6 -140.36 17.23 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.497 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.575 ' HE ' ' N ' ' A' ' 83' ' ' LEU . 0.0 OUTLIER -86.54 111.73 20.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.896 0.379 . . . . 0.0 110.874 -179.866 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.575 ' N ' ' HE ' ' A' ' 82' ' ' ARG . 2.0 pt? -142.82 129.31 20.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.96 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 26.4 m -80.03 82.14 6.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.877 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.496 HD23 ' C ' ' A' ' 85' ' ' LEU . 2.3 tt . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.928 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 27.8 m -53.53 -47.87 69.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.84 0.352 . . . . 0.0 110.847 -179.742 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.9 m -156.29 109.38 2.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.861 -179.838 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -80.24 59.49 4.57 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.529 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 42.6 p -55.8 -40.87 73.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.855 0.359 . . . . 0.0 110.869 -179.748 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 35.1 m -127.35 105.86 8.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.83 -179.844 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -114.3 -46.13 0.65 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.466 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 3.2 mtp -66.91 -72.64 0.16 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.738 0.304 . . . . 0.0 110.858 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.694 ' H ' HD12 ' A' ' 9' ' ' ILE . 5.2 mp -49.26 -42.19 15.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.115 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.06 -59.49 4.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.071 179.829 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -52.18 -54.74 27.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.133 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 35.4 m-85 -57.05 -55.77 30.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.883 -179.831 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -47.21 -61.81 1.72 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.892 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -52.06 -47.23 65.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.936 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.0 m -63.45 143.07 58.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.889 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 15.0 ptpt -90.84 158.06 17.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.869 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' TRP . . . . . 0.506 ' CG ' ' N ' ' A' ' 18' ' ' GLU . 84.5 t90 -47.8 168.14 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.923 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.506 ' N ' ' CG ' ' A' ' 17' ' ' TRP . 7.3 tp10 -156.58 136.37 8.45 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.662 0.744 . . . . 0.0 110.859 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 100.86 0.85 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.702 2.268 . . . . 0.0 112.308 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 1.7 p -132.81 122.02 45.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.141 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 32.5 tttt -68.23 107.05 2.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.928 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' TRP . . . . . 0.506 ' CZ3' ' HB3' ' A' ' 28' ' ' CYS . 66.7 m95 -70.92 111.07 6.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.927 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -90.38 155.05 19.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.942 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.445 ' O ' ' CG ' ' A' ' 25' ' ' ASP . 3.3 t-20 -58.68 156.38 11.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.889 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.445 ' CG ' ' O ' ' A' ' 24' ' ' ASN . 0.5 OUTLIER 47.71 52.21 12.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.844 179.873 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 26' ' ' MET . . . . . 0.463 ' HB2' ' CG1' ' A' ' 43' ' ' ILE . 27.2 mmm -118.47 174.29 6.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.895 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -119.82 140.68 50.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.878 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.506 ' HB3' ' CZ3' ' A' ' 22' ' ' TRP . 24.8 p -161.88 168.63 22.68 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.864 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -112.66 119.32 37.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.122 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.958 HG21 HG11 ' A' ' 65' ' ' VAL . 12.6 p -99.57 154.57 4.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.116 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.422 ' N ' HG22 ' A' ' 30' ' ' VAL . 13.7 ttpp -111.92 125.68 54.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.866 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.647 HG22 ' H ' ' A' ' 35' ' ' LYS . 63.7 mt -78.71 138.0 20.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.147 179.843 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.409 ' HG3' ' N ' ' A' ' 34' ' ' ASP . 28.1 pt20 -81.18 -46.16 15.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.905 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.409 ' N ' ' HG3' ' A' ' 33' ' ' GLN . 19.5 t0 -62.55 -39.14 92.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.837 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.647 ' H ' HG22 ' A' ' 32' ' ' ILE . 12.0 mptt -108.31 -177.06 3.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.885 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -125.96 40.7 3.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.928 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -125.44 137.56 53.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.899 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 56.0 m95 -84.75 124.8 31.95 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.932 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.403 ' CZ ' HG11 ' A' ' 59' ' ' VAL . 56.1 mtt180 -111.34 179.98 3.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.892 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 89.5 mtm180 -118.14 142.58 47.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.86 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -142.68 148.64 20.43 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.524 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.465 ' O ' ' N ' ' A' ' 44' ' ' ILE . 48.9 tt0 -100.38 117.71 35.13 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.768 0.318 . . . . 0.0 110.906 -179.832 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.463 ' CG1' ' HB2' ' A' ' 26' ' ' MET . 47.1 mm -44.24 91.81 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.158 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.756 HD11 ' HB2' ' A' ' 55' ' ' LEU . 32.0 mt -68.32 -64.18 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.161 179.821 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.402 ' HB2' ' NH1' ' A' ' 45' ' ' ARG . 0.2 OUTLIER -158.77 125.7 4.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.88 179.948 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.639 ' HG2' HG22 ' A' ' 52' ' ' VAL . 14.0 mtp -68.53 107.81 3.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.895 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 11.2 t -71.48 -68.7 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.128 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.3 p -129.18 -177.47 4.25 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.147 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -72.5 -6.33 43.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.844 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 48.0 p -125.52 -13.61 6.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.111 -179.84 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 74.7 mt -121.19 152.61 38.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.893 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.773 ' C ' HG23 ' A' ' 64' ' ' VAL . 19.9 t -154.91 133.08 2.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.13 179.851 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.42 ' O ' ' N ' ' A' ' 44' ' ' ILE . 12.7 tt0 -84.29 125.11 31.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.926 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -126.13 158.07 35.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.102 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.85 HD13 ' HG3' ' A' ' 62' ' ' GLU . 3.5 tp -115.73 119.66 36.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.955 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.566 HD12 ' HB ' ' A' ' 61' ' ' VAL . 66.2 mt -75.74 48.97 0.49 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.944 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.429 ' C ' ' O ' ' A' ' 56' ' ' LEU . 40.5 p90 -36.24 -30.39 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.926 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.491 ' N ' ' O ' ' A' ' 56' ' ' LEU . 10.6 p-10 -55.26 -49.38 72.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.837 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.434 HG23 ' N ' ' A' ' 60' ' ' GLY . 35.6 m -101.82 -40.9 7.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.108 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.434 ' N ' HG23 ' A' ' 59' ' ' VAL . . . 116.14 34.51 1.34 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.513 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.566 ' HB ' HD12 ' A' ' 56' ' ' LEU . 41.2 t -125.69 124.11 65.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.817 0.341 . . . . 0.0 111.122 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.85 ' HG3' HD13 ' A' ' 55' ' ' LEU . 7.3 mp0 -95.19 117.2 29.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.862 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -143.83 168.77 19.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.903 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.773 HG23 ' C ' ' A' ' 52' ' ' VAL . 4.8 p -119.98 127.94 75.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.163 179.831 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.958 HG11 HG21 ' A' ' 30' ' ' VAL . 4.6 m -120.58 172.01 8.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.145 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 3.9 t30 -82.7 130.68 35.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.885 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 13.4 m -46.44 -29.49 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.098 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.4 ' OD1' ' C ' ' A' ' 68' ' ' ASP . 6.3 t0 -52.43 -37.98 58.06 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.859 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 9.1 m -86.68 -27.99 23.42 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.873 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 32.2 mt -62.22 134.78 56.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.909 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 48.5 mmm-85 -135.28 149.97 49.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.882 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 44.5 mtmt -67.0 135.05 53.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.903 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 3.2 tp -87.57 94.86 9.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.918 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 38.0 mm-40 -52.3 166.25 0.19 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.881 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -78.95 -56.72 4.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.909 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 8.0 m-20 -52.47 -57.4 10.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.929 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 68.9 mt -52.56 -40.49 62.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.929 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 25.5 ttmt -59.81 -49.39 77.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.893 179.843 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 60.3 p -118.76 80.93 1.61 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.132 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 7.9 ptm -119.23 132.69 55.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.88 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -93.13 89.01 1.3 Allowed Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.498 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 7.9 tpt180 -131.62 148.71 52.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.833 0.349 . . . . 0.0 110.895 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -132.24 149.2 52.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.934 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 54.4 p -116.02 99.86 7.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.835 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.921 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.456 -0.257 . . . . 0.0 112.456 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.4 m -70.74 162.27 29.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.875 0.369 . . . . 0.0 110.874 -179.726 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.6 m -116.51 -51.61 2.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.858 -179.836 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -140.24 -140.88 3.95 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.484 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.9 t -74.94 93.1 2.63 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.867 0.365 . . . . 0.0 110.867 -179.755 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.3 t -90.35 -50.51 5.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.859 -179.823 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.593 ' O ' ' HB3' ' A' ' 10' ' ' ALA . . . 62.22 -99.08 0.22 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.501 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.53 ' HA ' HD22 ' A' ' 77' ' ' LEU . 1.9 mtp -36.36 -75.34 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.717 0.294 . . . . 0.0 110.85 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.76 ' H ' HD12 ' A' ' 9' ' ' ILE . 5.1 mp -44.8 -38.92 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.099 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.593 ' HB3' ' O ' ' A' ' 7' ' ' GLY . . . -57.11 -60.88 2.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.121 179.808 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -56.99 -55.27 36.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.123 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 30.8 m-85 -51.0 -54.02 28.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.955 -179.868 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -57.85 -52.7 64.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.891 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 5.8 t30 -53.41 -42.63 67.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.883 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 7.3 t -67.57 158.49 31.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.86 -179.868 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 42.3 mttp -109.58 175.26 5.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.882 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 80.7 t90 -63.88 142.64 58.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.975 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -139.77 131.6 14.77 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.645 0.736 . . . . 0.0 110.887 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 100.34 0.82 Allowed 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.661 2.241 . . . . 0.0 112.287 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.415 HG13 ' O ' ' A' ' 20' ' ' VAL . 2.7 p -134.82 111.97 14.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.093 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 19.1 ttmt -60.52 93.3 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.905 179.858 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' TRP . . . . . 0.518 ' CZ3' ' HB3' ' A' ' 28' ' ' CYS . 92.1 m95 -57.59 119.39 6.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.935 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.716 ' O ' HG21 ' A' ' 43' ' ' ILE . 42.5 mt-10 -96.11 174.53 6.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.87 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.432 ' O ' ' CG ' ' A' ' 25' ' ' ASP . 6.0 t30 -74.17 160.3 31.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.892 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.432 ' CG ' ' O ' ' A' ' 24' ' ' ASN . 2.2 p30 46.11 50.7 11.6 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.837 179.889 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 25.1 mtp -119.79 175.43 5.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.902 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.802 ' HB3' HD22 ' A' ' 73' ' ' LEU . 0.3 OUTLIER -122.84 138.0 54.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.865 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.518 ' HB3' ' CZ3' ' A' ' 22' ' ' TRP . 25.8 p -158.61 161.75 37.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.876 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -106.25 134.51 49.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.106 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.804 HG21 HG11 ' A' ' 65' ' ' VAL . 4.0 p -116.06 157.12 17.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.107 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.544 ' HB2' ' CZ2' ' A' ' 38' ' ' TRP . 17.0 ttpp -103.22 133.96 47.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.931 179.876 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 10.5 mt -89.01 143.49 11.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.144 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 17.9 mt-30 -79.75 -62.87 1.55 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.9 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -53.21 -46.0 68.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.853 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 8.9 mmtp -98.3 -179.91 4.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.883 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 80.5 m-20 -123.86 36.13 4.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.906 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -112.06 -175.4 2.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.875 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' TRP . . . . . 0.544 ' CZ2' ' HB2' ' A' ' 31' ' ' LYS . 30.6 m95 -135.59 111.93 9.81 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.931 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.709 ' O ' HG12 ' A' ' 30' ' ' VAL . 10.8 mtt85 -106.85 135.88 47.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.861 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 3.2 ptp85 -80.49 141.49 35.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.877 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -129.63 171.85 20.11 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.459 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.443 ' O ' ' N ' ' A' ' 44' ' ' ILE . 12.7 tt0 -108.33 120.57 42.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.806 0.336 . . . . 0.0 110.894 -179.882 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.716 HG21 ' O ' ' A' ' 23' ' ' GLU . 44.6 mm -52.57 88.33 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.159 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.825 HD11 ' HB2' ' A' ' 55' ' ' LEU . 54.9 mt -65.79 -69.44 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.15 179.885 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 6.9 ptm180 -156.47 123.87 5.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.869 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.556 ' HG2' HG22 ' A' ' 52' ' ' VAL . 39.6 mtp -67.81 108.41 2.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.851 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.601 HG12 HG23 ' A' ' 48' ' ' THR . 44.2 t -66.75 -67.69 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.114 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.601 HG23 HG12 ' A' ' 47' ' ' VAL . 32.4 p -125.16 -177.09 3.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.138 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -74.44 -1.1 19.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.894 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.575 ' O ' HG22 ' A' ' 67' ' ' VAL . 0.9 OUTLIER -125.78 -26.42 3.49 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.132 -179.905 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.599 HD23 ' OD1' ' A' ' 66' ' ' ASN . 3.1 mt -111.12 158.53 18.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.901 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.799 ' O ' HG23 ' A' ' 64' ' ' VAL . 39.5 t -154.21 134.94 4.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.089 179.82 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -84.85 121.41 27.68 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.888 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 2.1 m -124.01 158.78 30.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.1 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.825 ' HB2' HD11 ' A' ' 44' ' ' ILE . 6.6 tp -116.57 120.16 37.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.915 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.453 ' N ' HD12 ' A' ' 55' ' ' LEU . 29.3 mt -78.31 46.75 0.64 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.951 179.849 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.444 ' C ' ' O ' ' A' ' 56' ' ' LEU . 36.7 p90 -33.95 -36.81 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.972 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.433 ' N ' ' O ' ' A' ' 56' ' ' LEU . 2.0 p-10 -49.37 -53.82 20.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.882 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.457 HG23 ' N ' ' A' ' 60' ' ' GLY . 34.4 m -95.45 -42.31 12.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.156 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.457 ' N ' HG23 ' A' ' 59' ' ' VAL . . . 111.85 49.38 0.63 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.498 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 41.5 t -137.67 126.02 32.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.815 0.341 . . . . 0.0 111.096 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -92.18 119.52 31.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.885 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -151.19 174.46 13.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.874 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.799 HG23 ' O ' ' A' ' 52' ' ' VAL . 3.5 p -132.46 128.17 57.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.1 179.851 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.804 HG11 HG21 ' A' ' 30' ' ' VAL . 4.9 m -118.49 171.9 6.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.136 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ASN . . . . . 0.599 ' OD1' HD23 ' A' ' 51' ' ' LEU . 15.3 t30 -84.63 133.62 34.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.886 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.575 HG22 ' O ' ' A' ' 50' ' ' THR . 27.7 m -47.32 -21.22 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.102 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 83.6 m-20 -61.93 -38.05 87.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.844 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 5.2 m -85.84 -25.81 26.04 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.935 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.401 ' O ' ' CZ ' ' A' ' 71' ' ' ARG . 56.8 mt -62.97 139.02 58.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.906 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.401 ' CZ ' ' O ' ' A' ' 70' ' ' LEU . 10.4 mmp_? -134.64 153.87 51.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.84 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 6.0 mtpm? -69.74 117.96 11.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.873 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.802 HD22 ' HB3' ' A' ' 27' ' ' HIS . 4.9 tp -67.5 97.38 0.58 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.971 179.876 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 29.9 mm-40 -62.21 159.45 14.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.88 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 15.8 tt0 -73.94 -48.97 26.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.901 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -49.92 -54.43 19.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.886 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.53 HD22 ' HA ' ' A' ' 8' ' ' MET . 90.3 mt -58.93 -34.18 71.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.919 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 22.6 ttpt -61.6 -51.57 67.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.946 179.836 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 73.3 p -68.91 -40.16 79.28 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.164 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 14.4 tmm? -54.61 -48.49 72.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.89 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -60.95 -91.85 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.713 -0.755 . . . . 0.0 112.477 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.475 ' CZ ' ' HB2' ' A' ' 82' ' ' ARG . 21.5 ttm105 -140.2 147.14 39.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.815 0.341 . . . . 0.0 110.88 -179.815 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.511 HD12 ' CD1' ' A' ' 85' ' ' LEU . 4.5 mm? -57.59 147.4 27.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.924 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 77.0 p -125.77 40.57 3.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.908 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.511 ' CD1' HD12 ' A' ' 83' ' ' LEU . 3.0 mp . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.931 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.359 0 N-CA-C 112.509 -0.236 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.9 m -69.22 105.94 2.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.816 0.341 . . . . 0.0 110.875 -179.74 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 64.9 m -75.2 -48.37 23.82 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.838 -179.78 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -157.88 91.18 0.12 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.506 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.3 m -110.83 138.57 47.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.893 0.378 . . . . 0.0 110.878 -179.727 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 35.0 m -97.42 105.82 18.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.848 -179.787 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -113.2 -47.64 0.64 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.5 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.658 ' HA ' HD22 ' A' ' 77' ' ' LEU . 1.3 mtt -61.99 -74.66 0.08 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.773 0.32 . . . . 0.0 110.907 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.673 ' H ' HD12 ' A' ' 9' ' ' ILE . 5.3 mp -52.63 -50.39 41.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.13 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -46.94 -53.35 12.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.1 179.842 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -67.14 -62.75 1.27 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.112 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.504 ' CZ ' ' CD1' ' A' ' 77' ' ' LEU . 22.2 m-85 -43.24 -36.73 1.88 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.898 -179.858 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -74.56 -47.36 33.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.874 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.426 ' OD1' ' C ' ' A' ' 14' ' ' ASN . 2.7 t30 -58.49 -42.36 87.43 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.898 -179.904 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 10.8 t -68.52 -176.77 0.82 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.881 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.448 ' HD3' ' N ' ' A' ' 16' ' ' LYS . 0.7 OUTLIER -146.08 171.78 14.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.879 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 74.5 t90 -39.93 152.6 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.927 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -157.84 137.0 8.17 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.632 0.73 . . . . 0.0 110.872 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 100.08 0.79 Allowed 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.723 2.282 . . . . 0.0 112.333 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 7.1 p -134.35 128.36 51.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.11 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 21.9 tptm -79.24 114.86 18.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.885 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' TRP . . . . . 0.511 ' CZ3' ' HB3' ' A' ' 28' ' ' CYS . 78.2 m95 -80.86 123.38 28.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.932 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 55.1 mm-40 -106.65 159.12 16.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.901 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 21.3 m120 -60.35 151.0 28.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.896 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 54.38 51.53 14.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.903 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 26.0 mmm -119.81 166.92 12.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.874 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -118.75 132.17 56.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.892 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.511 ' HB3' ' CZ3' ' A' ' 22' ' ' TRP . 26.7 p -151.26 165.68 33.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.853 -179.895 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -104.16 113.28 26.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.114 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.587 HG21 HG11 ' A' ' 65' ' ' VAL . 7.0 p -96.38 139.66 18.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.119 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.558 ' HB2' ' CH2' ' A' ' 38' ' ' TRP . 38.0 ttpt -98.8 133.02 43.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.886 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.541 HG22 ' H ' ' A' ' 35' ' ' LYS . 17.5 mt -79.97 145.8 8.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.154 179.862 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 12.3 pt20 -91.11 -39.44 12.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.873 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -75.55 -39.73 57.83 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.879 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.541 ' H ' HG22 ' A' ' 32' ' ' ILE . 12.5 mtmm -99.12 179.87 4.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.89 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -123.45 41.22 3.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.911 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 82.4 mt-30 -121.08 179.32 4.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.884 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' TRP . . . . . 0.558 ' CH2' ' HB2' ' A' ' 31' ' ' LYS . 57.1 m95 -124.93 117.4 23.98 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.941 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.407 ' O ' ' N ' ' A' ' 30' ' ' VAL . 97.1 mtt180 -114.75 163.89 14.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.861 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 1.2 mpp_? -106.4 151.74 24.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.88 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -141.65 159.47 26.84 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.45 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.476 ' O ' ' N ' ' A' ' 44' ' ' ILE . 40.8 tt0 -108.33 115.63 30.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.748 0.309 . . . . 0.0 110.895 -179.864 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 50.0 mm -45.5 91.01 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.106 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.714 HD11 ' HB2' ' A' ' 55' ' ' LEU . 22.3 mt -68.94 -63.97 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.12 179.853 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.4 ' O ' ' CG ' ' A' ' 45' ' ' ARG . 15.5 ptt180 -162.57 125.1 2.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.866 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 23.9 mtp -65.31 111.27 2.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.885 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.651 HG12 HG23 ' A' ' 48' ' ' THR . 48.2 t -74.23 -66.25 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.109 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.651 HG23 HG12 ' A' ' 47' ' ' VAL . 29.7 p -127.26 -178.51 4.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.112 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -71.48 -2.92 18.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.886 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.589 ' O ' HG22 ' A' ' 67' ' ' VAL . 46.1 p -128.23 -28.73 2.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.164 -179.883 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 62.0 mt -104.79 150.28 24.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.908 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.713 ' O ' HG23 ' A' ' 64' ' ' VAL . 34.7 t -148.9 134.86 12.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.114 179.838 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.437 ' O ' ' N ' ' A' ' 44' ' ' ILE . 10.5 tt0 -84.43 122.13 28.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.892 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 2.6 m -126.13 158.23 35.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.121 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.714 ' HB2' HD11 ' A' ' 44' ' ' ILE . 7.9 tp -115.59 122.16 44.81 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.889 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.532 HD12 ' HB ' ' A' ' 61' ' ' VAL . 35.3 mt -78.61 49.26 0.86 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.95 179.869 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.431 ' C ' ' O ' ' A' ' 56' ' ' LEU . 42.4 p90 -36.14 -34.94 0.06 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.901 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.406 ' N ' ' O ' ' A' ' 56' ' ' LEU . 4.4 p-10 -51.27 -49.54 61.02 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.865 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.497 HG23 ' N ' ' A' ' 60' ' ' GLY . 34.2 m -101.11 -44.78 11.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.176 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.497 ' N ' HG23 ' A' ' 59' ' ' VAL . . . 113.47 52.55 0.48 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.512 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.532 ' HB ' HD12 ' A' ' 56' ' ' LEU . 44.9 t -139.85 126.37 22.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.782 0.325 . . . . 0.0 111.143 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 -89.02 119.82 29.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.894 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -150.08 176.27 10.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.9 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.713 HG23 ' O ' ' A' ' 52' ' ' VAL . 2.6 p -135.33 130.34 50.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.187 179.796 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.587 HG11 HG21 ' A' ' 30' ' ' VAL . 8.2 m -122.97 174.52 7.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.144 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 9.5 t30 -85.94 134.93 33.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.956 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.589 HG22 ' O ' ' A' ' 50' ' ' THR . 4.0 m -46.59 -32.25 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.09 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -58.84 -36.35 74.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.836 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 4.9 m -79.15 -30.62 43.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.903 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.531 HD12 ' HA ' ' A' ' 67' ' ' VAL . 96.3 mt -63.13 157.53 22.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.944 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.448 ' HG3' ' CH2' ' A' ' 38' ' ' TRP . 15.3 mmt85 -141.93 152.2 43.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.906 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 19.1 mtpp -77.04 123.55 26.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.867 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 4.9 tp -76.89 115.81 17.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.929 179.874 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 52.7 mt-10 -81.48 164.38 22.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.899 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 -72.52 -35.02 67.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.876 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 35.0 m-20 -64.79 -56.34 14.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.875 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.658 HD22 ' HA ' ' A' ' 8' ' ' MET . 61.0 mt -59.3 -23.65 62.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.931 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 19.8 mtpp -71.52 -49.98 35.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.876 179.867 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.432 ' O ' ' C ' ' A' ' 80' ' ' MET . 70.2 p -62.99 -47.19 84.2 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.105 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' MET . . . . . 0.432 ' C ' ' O ' ' A' ' 79' ' ' THR . 22.0 ttm -35.75 -52.51 0.7 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.831 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -68.21 117.02 8.08 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.483 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 5.4 tpt180 -152.72 133.45 13.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.855 0.36 . . . . 0.0 110.894 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 14.9 mt -84.68 144.24 28.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.903 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 19.3 m -86.34 86.97 7.35 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.871 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 5.7 tt . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.9 -179.992 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.281 0 N-CA-C 112.471 -0.251 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 89.1 p -92.3 -42.76 9.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.906 0.384 . . . . 0.0 110.882 -179.739 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.7 m 50.71 41.09 25.64 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.841 -179.84 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -79.05 -142.87 2.4 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.498 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 75.6 m -68.11 156.6 37.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.915 0.388 . . . . 0.0 110.837 -179.785 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 93.9 p -161.68 112.82 1.69 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.864 -179.857 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -115.15 -66.77 0.42 Allowed Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.532 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.474 ' CE ' ' HD2' ' A' ' 40' ' ' ARG . 3.6 mtp -49.98 -75.42 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.74 0.305 . . . . 0.0 110.919 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.745 ' H ' HD12 ' A' ' 9' ' ' ILE . 5.3 mp -44.46 -45.28 2.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.131 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -52.81 -63.46 1.14 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.093 179.787 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -54.85 -57.18 12.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.084 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.523 ' HB3' ' CE2' ' A' ' 38' ' ' TRP . 30.7 m-85 -47.74 -61.12 2.1 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.9 -179.84 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -49.48 -44.63 46.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.946 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 12.5 t-20 -59.63 -43.48 93.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.877 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.1 t -69.22 173.93 5.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.875 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.444 ' O ' ' NH2' ' A' ' 71' ' ' ARG . 52.5 mttm -129.29 172.47 11.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.911 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' TRP . . . . . 0.419 ' CG ' ' N ' ' A' ' 18' ' ' GLU . 78.8 t90 -54.92 169.58 0.22 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.953 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.419 ' N ' ' CG ' ' A' ' 17' ' ' TRP . 4.7 tp10 -165.91 131.67 1.96 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.616 0.722 . . . . 0.0 110.878 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 97.81 0.65 Allowed 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.712 2.275 . . . . 0.0 112.354 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 2.7 p -133.02 132.04 58.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.127 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 14.1 ttmm -75.24 108.43 8.0 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.909 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' TRP . . . . . 0.52 ' CZ3' ' HB3' ' A' ' 28' ' ' CYS . 69.1 m95 -70.66 116.58 11.15 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.929 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.683 ' O ' HG21 ' A' ' 43' ' ' ILE . 28.0 mt-10 -96.83 167.87 10.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.92 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.422 ' O ' ' C ' ' A' ' 25' ' ' ASP . 23.7 m120 -65.95 165.49 13.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.88 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.422 ' C ' ' O ' ' A' ' 24' ' ' ASN . 5.7 m-20 35.93 53.73 0.9 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.876 179.88 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 30.8 mmm -118.5 162.92 17.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.864 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.526 ' HB3' HD22 ' A' ' 73' ' ' LEU . 6.3 m170 -109.72 135.42 50.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.851 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.52 ' HB3' ' CZ3' ' A' ' 22' ' ' TRP . 25.8 p -159.45 161.06 35.42 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.887 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -110.53 123.08 49.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.1 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.582 HG21 HG11 ' A' ' 65' ' ' VAL . 2.5 p -98.28 131.87 44.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.119 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 34.0 ttpt -95.27 131.42 41.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.938 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 19.0 mt -79.44 144.62 10.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.148 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.427 ' HG2' ' N ' ' A' ' 34' ' ' ASP . 4.9 pm0 -94.33 -30.32 14.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.427 ' N ' ' HG2' ' A' ' 33' ' ' GLN . 56.1 m-20 -85.83 -2.26 58.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.861 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 26.5 mmmt -143.13 -179.47 6.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.944 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 27.7 m-80 -119.09 28.94 7.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.899 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 2.8 tm0? -114.77 136.29 53.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.92 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' TRP . . . . . 0.523 ' CE2' ' HB3' ' A' ' 12' ' ' TYR . 16.3 m95 -87.53 119.25 27.63 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.886 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.428 ' O ' ' N ' ' A' ' 30' ' ' VAL . 21.0 mmt-85 -104.01 155.83 18.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.845 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.474 ' HD2' ' CE ' ' A' ' 8' ' ' MET . 2.0 mpp_? -101.93 152.36 21.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.879 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -151.97 154.34 25.48 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.483 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.46 ' O ' ' N ' ' A' ' 44' ' ' ILE . 56.2 tt0 -109.6 114.71 28.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.741 0.305 . . . . 0.0 110.917 -179.848 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.683 HG21 ' O ' ' A' ' 23' ' ' GLU . 49.8 mm -42.56 93.27 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.143 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.871 HD11 ' HB2' ' A' ' 55' ' ' LEU . 53.1 mt -72.1 -68.07 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.142 179.837 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 5.2 ptm180 -156.72 127.52 6.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.876 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.539 ' HG2' HG22 ' A' ' 52' ' ' VAL . 16.7 mtp -69.81 119.68 14.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.905 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.531 HG12 HG23 ' A' ' 48' ' ' THR . 43.5 t -84.68 -63.19 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.152 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.531 HG23 HG12 ' A' ' 47' ' ' VAL . 18.1 p -127.94 -176.13 3.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.153 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -74.94 -5.2 42.53 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.856 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.425 ' O ' HG22 ' A' ' 67' ' ' VAL . 42.7 p -125.36 -26.61 3.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.106 -179.85 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.431 ' O ' HG23 ' A' ' 52' ' ' VAL . 96.1 mt -104.87 155.69 18.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.903 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.806 ' O ' HG23 ' A' ' 64' ' ' VAL . 20.6 t -156.15 133.4 2.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.142 179.792 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -84.3 122.65 29.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.903 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 2.8 m -125.98 158.69 35.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.095 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.871 ' HB2' HD11 ' A' ' 44' ' ' ILE . 6.9 tp -117.24 120.13 37.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.917 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.667 HD12 ' HB ' ' A' ' 61' ' ' VAL . 24.4 mt -76.94 47.76 0.54 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.927 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.436 ' C ' ' O ' ' A' ' 56' ' ' LEU . 53.0 p90 -35.72 -35.26 0.06 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.931 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.407 ' N ' ' O ' ' A' ' 56' ' ' LEU . 1.1 t70 -51.36 -49.37 61.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.879 179.897 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.491 HG23 ' N ' ' A' ' 60' ' ' GLY . 34.5 m -99.79 -44.52 11.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.148 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.491 ' N ' HG23 ' A' ' 59' ' ' VAL . . . 115.55 44.01 0.67 Allowed Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.478 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.667 ' HB ' HD12 ' A' ' 56' ' ' LEU . 41.1 t -133.09 124.64 50.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.834 0.35 . . . . 0.0 111.117 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -91.88 118.93 31.19 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.877 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -150.52 173.25 14.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.917 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.806 HG23 ' O ' ' A' ' 52' ' ' VAL . 4.1 p -129.08 128.99 67.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.126 179.842 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.582 HG11 HG21 ' A' ' 30' ' ' VAL . 6.3 m -122.03 171.85 10.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.092 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 11.6 t30 -81.8 136.6 35.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.857 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.425 HG22 ' O ' ' A' ' 50' ' ' THR . 24.9 m -50.51 -30.07 7.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.107 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 30.3 t0 -53.07 -39.16 63.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.868 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 21.7 m -84.78 -24.28 28.81 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.914 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.426 HD23 ' HA ' ' A' ' 70' ' ' LEU . 18.0 mt -63.79 133.1 52.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.884 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.444 ' NH2' ' O ' ' A' ' 16' ' ' LYS . 7.8 tpt85 -129.25 154.69 46.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.842 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 26.3 mtmm -71.67 141.81 49.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.892 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.526 HD22 ' HB3' ' A' ' 27' ' ' HIS . 2.5 tp -88.49 101.5 13.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.908 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 33.6 mm-40 -59.0 130.43 47.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.878 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.437 ' O ' HG22 ' A' ' 79' ' ' THR . 7.7 pt-20 -58.18 -29.34 65.56 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.927 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 62.1 t30 -66.31 -53.19 39.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.909 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 68.8 mt -62.51 -29.07 70.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.955 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 15.3 ttpp -68.74 -49.03 62.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.919 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.437 HG22 ' O ' ' A' ' 75' ' ' GLU . 13.4 t -85.68 27.33 0.86 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.189 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 64.3 ttp -104.86 100.39 10.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.882 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 113.15 -157.11 15.16 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.508 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 3.9 ptm180 -172.07 158.14 4.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.898 0.38 . . . . 0.0 110.884 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -84.68 159.79 20.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.939 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 89.2 p -104.72 84.26 2.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.839 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 23.8 tp . . . . . 0 C--N 1.327 -0.374 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.91 179.988 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 36.0 t -134.75 127.14 30.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.853 0.359 . . . . 0.0 110.891 -179.748 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.0 t -119.66 138.67 53.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.849 -179.829 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -104.48 159.34 16.16 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.463 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.7 t -129.92 -56.44 1.12 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.873 0.368 . . . . 0.0 110.801 -179.71 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 28.2 m -79.86 -55.4 5.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.856 -179.813 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.433 ' O ' ' C ' ' A' ' 8' ' ' MET . . . 78.79 -109.99 2.96 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.488 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.433 ' C ' ' O ' ' A' ' 7' ' ' GLY . 1.9 mtp -35.52 -75.43 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.741 0.305 . . . . 0.0 110.907 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.771 ' H ' HD12 ' A' ' 9' ' ' ILE . 4.8 mp -40.31 -52.11 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.11 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -51.27 -59.65 3.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.121 179.821 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -51.19 -59.88 3.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.097 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.495 ' O ' ' N ' ' A' ' 15' ' ' SER . 23.6 m-85 -52.57 -68.57 0.16 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.953 -179.835 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.424 ' C ' ' O ' ' A' ' 12' ' ' TYR . 1.9 tp10 -36.03 -52.86 0.77 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.907 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 9.2 t-20 -64.98 -36.59 84.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.874 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.495 ' N ' ' O ' ' A' ' 12' ' ' TYR . 3.9 p -54.64 166.68 0.43 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.876 -179.839 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.0 ptpt -126.3 148.05 49.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.909 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' TRP . . . . . 0.42 ' CH2' ' HA ' ' A' ' 19' ' ' PRO . 67.9 t90 -49.93 147.48 3.86 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.946 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -142.74 140.49 18.48 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.614 0.721 . . . . 0.0 110.902 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.42 ' HA ' ' CH2' ' A' ' 17' ' ' TRP . 53.8 Cg_endo -69.79 96.93 0.61 Allowed 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.64 2.227 . . . . 0.0 112.354 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.739 HG21 ' HD3' ' A' ' 72' ' ' LYS . 2.4 p -130.73 134.73 61.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.119 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 15.4 ttmt -83.36 105.09 14.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.87 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' TRP . . . . . 0.441 ' CZ2' ' HB3' ' A' ' 70' ' ' LEU . 58.0 m95 -67.37 132.39 47.57 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.962 179.874 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -116.0 156.4 26.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.895 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 14.9 t-20 -59.44 148.45 32.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.872 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 17.1 t70 59.5 52.18 5.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.866 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 19.6 mmm -126.46 165.96 18.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.912 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 19.1 m170 -120.64 142.67 49.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.864 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.413 ' HB3' ' CH2' ' A' ' 22' ' ' TRP . 1.8 p -160.53 159.13 30.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.923 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.415 ' CB ' ' CZ ' ' A' ' 12' ' ' TYR . . . -94.95 129.74 41.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.135 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.893 HG21 HG11 ' A' ' 65' ' ' VAL . 7.3 p -117.58 145.29 23.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.172 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.566 ' HB2' ' CZ2' ' A' ' 38' ' ' TRP . 25.7 ttpt -105.05 117.62 34.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.88 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.63 HG22 ' H ' ' A' ' 35' ' ' LYS . 48.4 mt -74.66 141.42 16.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.121 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -80.25 -54.41 5.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.891 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -56.74 -37.84 71.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.847 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.63 ' H ' HG22 ' A' ' 32' ' ' ILE . 6.7 mmpt? -104.84 171.1 7.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.889 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 4.9 m120 -118.07 39.16 3.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.877 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -121.35 -176.18 3.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.904 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' TRP . . . . . 0.566 ' CZ2' ' HB2' ' A' ' 31' ' ' LYS . 43.2 m95 -136.07 125.77 25.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.903 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.647 ' O ' HG12 ' A' ' 30' ' ' VAL . 5.4 ptp180 -134.15 130.59 37.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.878 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -74.53 153.2 39.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.86 -179.886 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -135.2 178.04 18.89 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.477 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.46 ' O ' ' N ' ' A' ' 44' ' ' ILE . 42.7 tt0 -115.92 115.49 26.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.794 0.331 . . . . 0.0 110.87 -179.865 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 35.3 mm -49.96 89.42 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.139 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.927 HD11 ' HB2' ' A' ' 55' ' ' LEU . 57.3 mt -65.61 -68.96 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.125 179.867 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 4.4 ptm180 -154.83 124.79 6.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.872 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.636 ' HG2' HG22 ' A' ' 52' ' ' VAL . 17.0 mtp -67.6 117.69 9.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.883 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.606 HG12 HG23 ' A' ' 48' ' ' THR . 34.7 t -78.73 -62.34 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.161 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.606 HG23 HG12 ' A' ' 47' ' ' VAL . 37.8 p -134.03 -175.37 3.82 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.17 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -72.09 -9.53 58.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.885 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 25.1 p -125.63 -7.31 6.83 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.137 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 55.6 mt -122.74 151.28 41.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.878 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.773 ' O ' HG23 ' A' ' 64' ' ' VAL . 56.7 t -155.32 130.63 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.1 179.803 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 13.7 tt0 -84.44 120.77 26.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.903 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 3.5 m -122.33 160.49 24.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.172 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.927 ' HB2' HD11 ' A' ' 44' ' ' ILE . 7.9 tp -119.8 120.3 36.1 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.913 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.474 ' HB3' HG22 ' A' ' 59' ' ' VAL . 41.9 mt -76.92 47.75 0.54 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.898 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.422 ' C ' ' O ' ' A' ' 56' ' ' LEU . 30.7 p90 -35.69 -34.68 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.927 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.424 ' N ' ' O ' ' A' ' 56' ' ' LEU . 4.9 t0 -52.53 -49.85 64.03 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.867 179.879 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.492 HG23 ' N ' ' A' ' 60' ' ' GLY . 34.3 m -97.8 -44.14 12.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.146 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.492 ' N ' HG23 ' A' ' 59' ' ' VAL . . . 113.73 47.42 0.62 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.479 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 42.8 t -137.1 126.5 36.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.751 0.31 . . . . 0.0 111.133 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -91.18 119.31 31.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.881 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -150.91 174.57 12.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.943 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.773 HG23 ' O ' ' A' ' 52' ' ' VAL . 3.6 p -130.98 124.32 55.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.094 179.892 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.893 HG11 HG21 ' A' ' 30' ' ' VAL . 8.3 m -112.6 169.93 4.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.108 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 3.6 t30 -83.92 134.75 34.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.876 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 19.4 m -46.84 -20.35 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.178 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -64.22 -38.9 92.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.912 179.874 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 13.1 m -82.42 -24.94 34.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.856 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.441 ' HB3' ' CZ2' ' A' ' 22' ' ' TRP . 43.4 mt -64.25 137.02 57.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.891 -179.903 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 17.3 mmt85 -136.09 152.63 51.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.907 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.739 ' HD3' HG21 ' A' ' 20' ' ' VAL . 5.4 mmmm -71.35 119.56 15.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.903 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 5.8 tp -62.8 94.39 0.07 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.889 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -53.65 163.91 0.61 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.857 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -78.44 -49.89 12.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.854 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 12.3 m-20 -55.59 -52.53 63.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.886 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 69.7 mt -56.34 -35.65 67.86 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.882 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 5.1 mtpm? -62.42 -72.47 0.13 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.881 179.856 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -100.54 108.96 21.03 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.143 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 28.0 mtt -114.8 79.09 1.22 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.868 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 75.82 130.05 0.3 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.486 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 52.9 mtm180 -93.71 131.06 39.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.899 0.38 . . . . 0.0 110.904 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.405 HD13 ' HA ' ' A' ' 83' ' ' LEU . 3.4 mm? -81.32 173.27 12.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.881 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 90.9 p -101.21 80.53 2.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.858 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 12.0 mt . . . . . 0 C--N 1.328 -0.352 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.907 179.998 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 N-CA-C 112.517 -0.233 . . . . 0.0 112.517 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.0 m -75.82 176.2 8.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.869 0.366 . . . . 0.0 110.884 -179.751 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 48.9 m -86.24 120.25 27.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.898 -179.83 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.434 ' O ' ' C ' ' A' ' 5' ' ' SER . . . 149.8 127.77 1.55 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.477 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.434 ' C ' ' O ' ' A' ' 4' ' ' GLY . 5.4 t -35.63 132.4 0.45 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.851 0.357 . . . . 0.0 110.861 -179.746 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.9 m -97.98 93.54 6.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.864 -179.825 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -117.47 -46.37 0.49 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.494 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 7.4 mtp -59.55 -75.41 0.06 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.751 0.31 . . . . 0.0 110.891 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.749 ' H ' HD12 ' A' ' 9' ' ' ILE . 5.3 mp -48.16 -48.66 12.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.163 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.26 -56.54 18.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.129 179.816 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -56.2 -58.35 8.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.075 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 46.8 m-85 -53.38 -39.5 64.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.914 -179.855 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.669 ' OE2' HG22 ' A' ' 9' ' ' ILE . 20.6 mt-10 -67.47 -41.24 84.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.857 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 39.7 t30 -63.78 -45.34 90.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.899 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 11.1 t -59.65 177.81 0.19 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 26.2 mtpt -129.51 -176.08 3.78 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.924 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 75.2 t90 -68.82 159.1 33.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.924 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.423 ' CD ' ' HD2' ' A' ' 19' ' ' PRO . 6.1 tp10 -164.7 137.83 3.87 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.617 0.722 . . . . 0.0 110.919 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.423 ' HD2' ' CD ' ' A' ' 18' ' ' GLU . 53.7 Cg_endo -69.76 98.3 0.68 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.66 2.24 . . . . 0.0 112.351 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.716 HG11 ' HD2' ' A' ' 72' ' ' LYS . 2.8 p -129.61 107.85 15.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.147 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 15.5 ttmt -60.44 113.47 2.43 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.876 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' TRP . . . . . 0.484 ' HB3' HD12 ' A' ' 43' ' ' ILE . 83.1 m95 -77.25 114.88 16.54 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.885 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.529 ' O ' HG21 ' A' ' 43' ' ' ILE . 54.9 mt-10 -89.32 159.21 17.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.865 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -66.81 149.62 50.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.892 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 59.27 50.21 8.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.851 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 13.5 mmm -120.92 167.74 12.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.851 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 67.6 m170 -118.0 132.8 56.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.822 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 4.2 p -152.55 170.28 20.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.931 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -110.92 113.9 26.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.089 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.784 HG21 HG11 ' A' ' 65' ' ' VAL . 1.3 p -90.4 142.32 13.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.148 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.574 ' HB2' ' CH2' ' A' ' 38' ' ' TRP . 24.2 tttp -97.07 126.01 41.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.94 179.895 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.437 HD12 ' O ' ' A' ' 37' ' ' GLN . 11.2 mt -78.52 143.98 11.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.157 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 5.9 mm-40 -75.19 -75.23 0.18 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.919 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -60.53 -40.98 93.46 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.853 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.431 ' CB ' HG21 ' A' ' 32' ' ' ILE . 0.8 OUTLIER -83.98 150.36 25.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.906 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 48.8 m-20 -109.04 35.75 3.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.854 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.437 ' O ' HD12 ' A' ' 32' ' ' ILE . 5.1 tt0 -122.2 133.4 54.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.926 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' TRP . . . . . 0.574 ' CH2' ' HB2' ' A' ' 31' ' ' LYS . 66.5 m95 -83.5 121.95 27.89 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.894 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.476 ' CZ ' ' HA ' ' A' ' 39' ' ' ARG . 1.0 OUTLIER -108.97 -176.34 3.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.841 -179.964 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 42.4 mtt180 -120.0 144.81 47.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.863 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -140.36 153.55 23.56 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.527 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.463 ' HB2' ' CD1' ' A' ' 57' ' ' TYR . 48.4 tt0 -106.74 115.94 31.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.77 0.319 . . . . 0.0 110.911 -179.866 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.529 HG21 ' O ' ' A' ' 23' ' ' GLU . 48.3 mm -47.77 91.53 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.13 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.833 HD11 ' HB2' ' A' ' 55' ' ' LEU . 51.5 mt -70.17 -67.35 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.108 179.859 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 7.6 ptm180 -159.81 125.23 4.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.862 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.564 ' HG2' HG22 ' A' ' 52' ' ' VAL . 37.8 mtp -67.35 118.68 11.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.869 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.558 HG12 HG23 ' A' ' 48' ' ' THR . 47.3 t -81.85 -70.15 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.156 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.558 HG23 HG12 ' A' ' 47' ' ' VAL . 59.1 p -117.4 -179.45 3.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.175 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -71.33 -8.4 53.45 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.902 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 38.6 p -125.98 -12.06 6.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.12 -179.872 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.416 HD23 ' OD1' ' A' ' 66' ' ' ASN . 24.0 mt -116.33 154.61 29.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.867 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.769 ' O ' HG23 ' A' ' 64' ' ' VAL . 30.7 t -155.69 133.7 2.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.099 179.845 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -84.29 123.44 30.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.922 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 2.7 m -127.93 159.84 38.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.116 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.833 ' HB2' HD11 ' A' ' 44' ' ' ILE . 9.9 tp -119.06 121.64 40.29 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.932 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.616 HD12 ' HB ' ' A' ' 61' ' ' VAL . 28.8 mt -76.21 48.64 0.52 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.939 179.853 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.463 ' CD1' ' HB2' ' A' ' 42' ' ' GLN . 38.3 p90 -37.02 -29.09 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.919 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.488 ' N ' ' O ' ' A' ' 56' ' ' LEU . 6.9 t70 -57.77 -49.93 74.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.85 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.452 HG23 ' N ' ' A' ' 60' ' ' GLY . 34.2 m -99.44 -42.11 10.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.131 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.452 ' N ' HG23 ' A' ' 59' ' ' VAL . . . 111.86 48.87 0.65 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.471 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.616 ' HB ' HD12 ' A' ' 56' ' ' LEU . 40.3 t -136.67 124.83 34.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.798 0.333 . . . . 0.0 111.141 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -88.78 120.46 30.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.889 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -153.24 175.77 12.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.897 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.769 HG23 ' O ' ' A' ' 52' ' ' VAL . 2.7 p -133.98 124.59 47.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.126 179.834 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.784 HG11 HG21 ' A' ' 30' ' ' VAL . 4.0 m -114.4 177.31 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.109 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ASN . . . . . 0.416 ' OD1' HD23 ' A' ' 51' ' ' LEU . 4.5 t30 -89.88 138.96 31.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.844 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 15.3 m -52.81 -25.72 9.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.112 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -63.13 -27.96 69.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.878 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 17.5 m -97.66 -5.81 34.55 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.887 -179.882 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 22.1 mt -81.13 138.71 35.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.977 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.468 ' HG3' ' CZ3' ' A' ' 38' ' ' TRP . 4.2 mmp_? -124.75 156.29 37.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.873 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.716 ' HD2' HG11 ' A' ' 20' ' ' VAL . 0.0 OUTLIER -88.05 121.92 31.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.894 179.968 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 1.5 tp -73.22 117.98 15.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.912 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -76.81 172.03 13.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.857 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.655 ' O ' HG22 ' A' ' 79' ' ' THR . 15.6 tt0 -80.8 -40.35 25.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.9 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -69.1 -55.02 11.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.906 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 32.7 mt -55.63 -31.14 62.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.913 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 6.3 ttpm? -76.12 -55.41 5.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.889 179.84 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.655 HG22 ' O ' ' A' ' 75' ' ' GLU . 7.5 t -84.22 33.14 0.49 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.085 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 30.9 ttm -72.93 119.38 17.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.923 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 65.8 -110.22 3.35 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.474 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 47.5 ttp180 -135.99 164.69 27.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.857 0.36 . . . . 0.0 110.828 -179.852 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.665 ' O ' HD12 ' A' ' 83' ' ' LEU . 1.8 pp -172.27 160.33 5.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.928 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 65.9 p -109.93 95.36 5.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.865 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 7.5 tp . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.886 -179.941 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.516 -0.233 . . . . 0.0 112.516 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.8 t -167.49 150.64 6.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.906 0.384 . . . . 0.0 110.852 -179.736 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 46.1 p -67.6 155.32 39.43 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.874 -179.854 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 73.08 131.65 0.17 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.44 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.3 m -114.67 91.21 3.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.86 0.362 . . . . 0.0 110.849 -179.744 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.777 ' HB2' ' HB2' ' A' ' 10' ' ' ALA . 69.0 m -60.7 -58.95 6.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.862 -179.82 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.438 ' O ' ' C ' ' A' ' 8' ' ' MET . . . 78.32 -114.49 3.96 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.522 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.708 ' HA ' HD13 ' A' ' 77' ' ' LEU . 2.1 mtp -34.92 -75.42 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.749 0.309 . . . . 0.0 110.894 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.759 ' H ' HD12 ' A' ' 9' ' ' ILE . 4.5 mp -45.22 -48.41 3.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.116 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.777 ' HB2' ' HB2' ' A' ' 6' ' ' SER . . . -50.28 -63.03 1.24 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.099 179.817 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.687 ' HB3' HD11 ' A' ' 77' ' ' LEU . . . -53.22 -60.21 3.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.069 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 30.4 m-85 -45.38 -42.14 9.83 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.927 -179.85 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 10.3 tm-20 -62.9 -54.81 32.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.875 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 14.6 t-20 -55.41 -48.86 73.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.891 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 5.8 t -58.83 120.99 10.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.869 -179.835 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 11.0 ptpt -79.24 145.83 33.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.903 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' TRP . . . . . 0.462 ' CD1' ' HA ' ' A' ' 68' ' ' ASP . 85.1 t90 -46.75 158.98 0.11 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.932 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -152.33 140.48 13.43 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.601 0.715 . . . . 0.0 110.912 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 100.23 0.81 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.689 2.259 . . . . 0.0 112.315 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 2.1 p -133.44 127.48 53.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.144 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 19.0 tptt -76.06 110.94 10.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.88 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' TRP . . . . . 0.492 ' CZ3' ' HB3' ' A' ' 28' ' ' CYS . 95.6 m95 -72.71 139.64 47.34 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.917 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -117.95 151.72 36.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.913 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 7.3 t-20 -59.06 147.73 33.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.91 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 26.7 t70 63.27 49.33 3.31 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.814 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 31.7 mtp -125.32 166.81 15.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.875 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -119.0 147.3 44.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.865 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.492 ' HB3' ' CZ3' ' A' ' 22' ' ' TRP . 24.0 p -170.63 175.47 4.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.884 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -112.88 152.26 29.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.107 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.876 HG21 HG11 ' A' ' 65' ' ' VAL . 4.9 p -135.86 156.77 37.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.135 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.565 ' HB2' ' CZ2' ' A' ' 38' ' ' TRP . 23.2 ttpt -103.8 121.42 43.0 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.895 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.588 HG22 ' H ' ' A' ' 35' ' ' LYS . 45.6 mt -70.69 138.8 21.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.143 179.863 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 30.0 mm-40 -74.66 -64.1 1.11 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.94 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -57.64 -40.41 79.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.858 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.588 ' H ' HG22 ' A' ' 32' ' ' ILE . 8.0 mmmm -96.11 175.08 6.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.872 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 5.3 m-80 -119.9 29.56 7.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.907 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 43.9 mt-30 -109.99 -179.19 3.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.891 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' TRP . . . . . 0.565 ' CZ2' ' HB2' ' A' ' 31' ' ' LYS . 16.5 m95 -129.51 110.01 11.51 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.906 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.433 ' O ' HG12 ' A' ' 30' ' ' VAL . 74.4 mtt180 -103.84 155.28 18.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.899 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 79.5 mtm180 -92.02 159.1 15.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -151.46 161.11 29.05 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.517 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.428 ' O ' ' N ' ' A' ' 44' ' ' ILE . 40.1 tt0 -109.38 116.88 32.67 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.756 0.312 . . . . 0.0 110.927 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 44.1 mm -45.04 93.76 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.138 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.843 HD11 ' HB2' ' A' ' 55' ' ' LEU . 47.1 mt -71.49 -65.09 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.136 179.858 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 4.5 ptm180 -161.53 126.44 3.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.837 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.749 ' HG2' HG22 ' A' ' 52' ' ' VAL . 35.8 mtp -68.99 125.17 25.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.913 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.655 HG12 HG23 ' A' ' 48' ' ' THR . 61.2 t -90.52 -64.64 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.142 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.655 HG23 HG12 ' A' ' 47' ' ' VAL . 39.0 p -126.57 179.21 5.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.131 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.502 ' OD1' HG23 ' A' ' 50' ' ' THR . 0.7 OUTLIER -70.99 -9.35 57.85 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.901 179.917 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.502 HG23 ' OD1' ' A' ' 49' ' ' ASP . 17.6 p -126.15 -0.38 7.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.124 -179.863 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.495 ' O ' HG23 ' A' ' 52' ' ' VAL . 28.0 mt -130.56 154.77 47.49 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.875 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.749 HG22 ' HG2' ' A' ' 46' ' ' MET . 38.3 t -158.09 134.65 2.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.148 179.801 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 15.1 tt0 -86.02 125.92 33.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.92 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 3.2 m -127.59 165.35 26.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.131 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.843 ' HB2' HD11 ' A' ' 44' ' ' ILE . 4.6 tp -121.04 120.41 35.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.889 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.49 ' O ' ' N ' ' A' ' 58' ' ' ASP . 19.0 mt -75.72 48.91 0.49 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.965 179.868 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.456 ' C ' ' O ' ' A' ' 56' ' ' LEU . 30.9 p90 -33.89 -34.19 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.908 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.49 ' N ' ' O ' ' A' ' 56' ' ' LEU . 5.9 p-10 -50.32 -51.12 48.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.86 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 34.2 m -100.92 -38.08 5.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.129 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 111.91 38.82 1.36 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.523 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 43.2 t -130.64 125.64 59.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.755 0.312 . . . . 0.0 111.121 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.785 ' HG3' HD13 ' A' ' 55' ' ' LEU . 3.7 mp0 -93.05 117.55 30.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.897 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.457 HD22 ' HG ' ' A' ' 56' ' ' LEU . 1.0 OUTLIER -139.49 174.25 10.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.861 -179.924 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -125.44 123.63 65.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.126 179.839 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.876 HG11 HG21 ' A' ' 30' ' ' VAL . 13.1 m -117.99 165.88 12.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.109 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 4.1 t30 -79.7 133.52 36.36 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.926 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.42 ' HA ' HD12 ' A' ' 70' ' ' LEU . 16.1 m -50.91 -23.0 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.091 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.462 ' HA ' ' CD1' ' A' ' 17' ' ' TRP . 6.0 t70 -62.93 -34.08 76.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.904 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 4.6 m -85.6 -27.7 25.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.873 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.42 HD12 ' HA ' ' A' ' 67' ' ' VAL . 41.6 mt -57.75 144.73 37.18 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.888 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.563 ' HG3' ' CH2' ' A' ' 38' ' ' TRP . 5.5 mmm180 -140.34 138.28 34.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.876 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 8.6 mmtt -60.77 134.36 57.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.908 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 8.2 tp -75.14 104.46 5.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.901 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 26.4 mm-40 -83.61 138.02 33.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.915 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -51.53 -40.64 60.05 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.87 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 5.3 t-20 -47.88 -50.18 27.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.906 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.708 HD13 ' HA ' ' A' ' 8' ' ' MET . 11.5 mt -99.13 27.82 4.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.937 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 1.2 tmtt? -112.55 -42.62 3.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.911 179.836 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 57.8 p -100.12 43.61 1.05 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.147 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 45.1 ttm -93.5 133.35 36.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.908 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 127.87 -140.84 12.11 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.494 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 52.2 mtp180 -141.2 112.04 7.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.808 0.337 . . . . 0.0 110.87 -179.849 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -77.38 152.82 34.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.871 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 58.2 m -96.19 83.21 3.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.833 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 11.7 mt . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.956 179.959 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.8 m 61.11 28.28 18.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.886 0.374 . . . . 0.0 110.876 -179.739 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 40.7 m 62.38 40.59 10.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.867 -179.802 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -133.28 -85.88 0.27 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.44 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.3 t -169.87 141.13 2.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.901 0.381 . . . . 0.0 110.829 -179.716 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.4 t -71.26 -70.11 0.33 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.839 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.442 ' O ' ' C ' ' A' ' 8' ' ' MET . . . 83.5 -106.5 2.83 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.49 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.442 ' C ' ' O ' ' A' ' 7' ' ' GLY . 3.7 mtp -35.05 -75.42 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.717 0.294 . . . . 0.0 110.88 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.717 ' H ' HD12 ' A' ' 9' ' ' ILE . 5.2 mp -44.19 -48.25 2.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.185 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.426 ' HB3' ' O ' ' A' ' 7' ' ' GLY . . . -50.69 -57.21 8.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.111 179.811 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.82 ' HB3' HD11 ' A' ' 77' ' ' LEU . . . -56.81 -59.69 4.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.1 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.534 ' CE1' ' OE2' ' A' ' 74' ' ' GLU . 44.0 m-85 -46.37 -51.72 14.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.914 -179.854 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.9 tm-20 -56.72 -50.21 72.87 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.89 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 38.6 m-20 -56.99 -41.67 78.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.938 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 6.4 t -65.71 151.07 47.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.849 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 58.1 mtmt -113.48 146.75 39.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.943 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 43.5 t90 -45.35 146.59 0.94 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.927 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -146.36 146.76 28.72 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-O 121.663 0.744 . . . . 0.0 110.851 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 95.85 0.57 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.661 2.24 . . . . 0.0 112.305 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.407 HG13 ' O ' ' A' ' 20' ' ' VAL . 5.1 p -132.17 120.6 44.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.121 179.878 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 25.3 ttmt -67.29 118.84 11.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.879 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 66.2 m95 -80.92 121.33 25.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.925 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 67.6 mt-10 -102.96 159.18 15.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.881 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 7.1 m120 -64.88 149.76 48.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.883 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 22.3 t0 59.55 52.86 5.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.846 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 32.2 mtp -127.06 161.8 27.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.871 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.525 ' HB3' HD22 ' A' ' 73' ' ' LEU . 60.3 m170 -107.29 145.67 32.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.835 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.531 ' SG ' HD22 ' A' ' 70' ' ' LEU . 24.6 p -166.79 160.69 14.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.945 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -107.76 119.78 40.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.137 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.825 HG21 HG11 ' A' ' 65' ' ' VAL . 2.1 p -102.86 146.93 10.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.124 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.564 ' HB3' ' CH2' ' A' ' 38' ' ' TRP . 7.4 pttt -102.92 138.08 40.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.861 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 13.7 mt -86.24 144.31 9.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.136 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 9.2 pt20 -83.93 -43.89 14.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.9 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -73.48 -38.24 65.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.879 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 23.7 mmtt -104.42 171.02 7.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.898 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 1.4 p-10 -114.44 23.19 13.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.88 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 54.9 mt-30 -109.33 128.2 54.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.925 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' TRP . . . . . 0.564 ' CH2' ' HB3' ' A' ' 31' ' ' LYS . 36.5 m95 -79.28 121.07 24.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.888 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 7.1 mmt85 -109.02 160.65 15.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.876 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 52.1 mtm180 -93.96 156.46 16.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.929 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -152.49 152.04 23.79 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.5 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.474 ' O ' ' N ' ' A' ' 44' ' ' ILE . 34.8 tt0 -110.47 118.82 37.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.749 0.309 . . . . 0.0 110.93 -179.873 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 35.5 mm -45.5 91.19 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.175 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.921 HD11 ' HB2' ' A' ' 55' ' ' LEU . 46.4 mt -72.0 -65.64 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.139 179.845 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.445 ' O ' ' CG ' ' A' ' 45' ' ' ARG . 6.0 ptm180 -156.85 121.27 4.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.852 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.558 ' HG2' HG22 ' A' ' 52' ' ' VAL . 23.5 mtp -67.44 110.54 3.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.926 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.628 HG12 HG23 ' A' ' 48' ' ' THR . 47.5 t -74.91 -68.28 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.155 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.628 HG23 HG12 ' A' ' 47' ' ' VAL . 14.5 p -125.18 173.92 8.43 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.135 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 32.3 m-20 -64.77 -9.14 18.18 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.912 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.401 ' O ' HG22 ' A' ' 67' ' ' VAL . 9.4 p -121.12 -24.32 5.57 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.128 -179.912 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 91.9 mt -109.34 151.88 26.01 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.937 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.802 ' C ' HG23 ' A' ' 64' ' ' VAL . 53.4 t -153.92 132.89 3.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.156 179.833 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 -84.31 124.34 31.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.875 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 2.4 m -127.43 160.13 36.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.136 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.921 ' HB2' HD11 ' A' ' 44' ' ' ILE . 8.0 tp -116.29 120.25 38.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.919 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.638 HD12 ' HB ' ' A' ' 61' ' ' VAL . 33.1 mt -76.04 48.54 0.5 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.977 179.853 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.45 ' C ' ' O ' ' A' ' 56' ' ' LEU . 43.5 p90 -34.61 -36.0 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.88 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.426 ' N ' ' O ' ' A' ' 56' ' ' LEU . 29.5 t70 -51.59 -52.24 49.03 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.897 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.498 HG23 ' N ' ' A' ' 60' ' ' GLY . 33.9 m -96.58 -44.78 12.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.156 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.498 ' N ' HG23 ' A' ' 59' ' ' VAL . . . 114.4 46.62 0.62 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.485 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.638 ' HB ' HD12 ' A' ' 56' ' ' LEU . 41.1 t -135.27 127.66 47.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.815 0.34 . . . . 0.0 111.099 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -92.45 119.08 31.61 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.871 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.421 ' O ' HD23 ' A' ' 63' ' ' LEU . 0.7 OUTLIER -151.24 170.95 18.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.943 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.802 HG23 ' C ' ' A' ' 52' ' ' VAL . 3.8 p -124.82 128.86 73.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.162 179.819 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.825 HG11 HG21 ' A' ' 30' ' ' VAL . 17.4 m -121.66 167.9 14.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.161 179.905 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 5.6 t30 -79.39 135.76 36.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.863 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.401 HG22 ' O ' ' A' ' 50' ' ' THR . 5.5 m -44.84 -30.59 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.086 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -55.02 -40.37 70.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.871 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 69.3 m -78.15 -34.39 49.79 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.871 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.531 HD22 ' SG ' ' A' ' 28' ' ' CYS . 78.1 mt -59.37 141.48 54.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.893 -179.878 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.468 ' HA ' ' CZ ' ' A' ' 71' ' ' ARG . 1.4 mmp_? -141.67 144.01 33.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.841 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 33.5 mtpt -64.12 122.12 15.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.924 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.834 HD23 ' HD3' ' A' ' 78' ' ' LYS . 6.6 tp -70.48 97.45 1.3 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.88 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 1.011 ' CD ' HD12 ' A' ' 77' ' ' LEU . 1.2 pm0 -64.94 138.03 58.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.916 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -65.22 -25.57 67.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.907 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -62.25 -55.77 25.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.877 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 1.011 HD12 ' CD ' ' A' ' 74' ' ' GLU . 78.4 mt -69.92 -13.9 62.47 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.908 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.834 ' HD3' HD23 ' A' ' 73' ' ' LEU . 23.8 mtmt -72.64 -58.79 3.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.926 179.809 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 16.3 p -104.29 104.95 14.93 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.127 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 4.9 ptp -154.32 168.19 27.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.883 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 67.46 -102.24 0.79 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.48 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 35.7 mtm-85 -99.3 158.5 15.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.857 0.36 . . . . 0.0 110.863 -179.854 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 10.0 mp -93.1 157.01 16.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.949 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 54.7 p -137.5 110.75 7.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.841 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.568 HD13 ' O ' ' A' ' 85' ' ' LEU . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.899 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 2.8 mtp . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.751 0.31 . . . . 0.0 110.917 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.794 ' H ' HD12 ' A' ' 9' ' ' ILE . 4.9 mp -49.85 -42.95 19.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.13 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -56.2 -62.89 1.4 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.118 179.78 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -55.41 -56.17 23.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.088 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.551 ' CE2' HD13 ' A' ' 77' ' ' LEU . 40.9 m-85 -52.13 -64.0 0.96 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.974 -179.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -43.6 -59.53 2.15 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.879 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 17.4 m-20 -53.2 -43.51 67.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.881 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.418 ' C ' ' HD2' ' A' ' 16' ' ' LYS . 1.9 m -67.7 169.31 9.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.843 -179.834 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.418 ' HD2' ' C ' ' A' ' 15' ' ' SER . 0.1 OUTLIER -127.31 149.51 50.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.884 179.937 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . 0.515 ' CH2' ' HA ' ' A' ' 19' ' ' PRO . 73.1 t90 -42.31 151.33 0.11 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.906 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -139.93 143.89 36.24 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.642 0.734 . . . . 0.0 110.921 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.515 ' HA ' ' CH2' ' A' ' 17' ' ' TRP . 54.0 Cg_endo -69.72 101.27 0.89 Allowed 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.677 2.251 . . . . 0.0 112.368 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.428 HG21 ' HD3' ' A' ' 72' ' ' LYS . 2.6 p -138.68 140.46 39.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.087 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 20.9 ttmt -81.85 120.03 24.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.908 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . 0.422 ' CZ3' ' HB3' ' A' ' 28' ' ' CYS . 87.9 m95 -85.32 124.76 32.31 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.882 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.479 ' O ' HG21 ' A' ' 43' ' ' ILE . 5.6 mm-40 -107.45 161.86 14.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.938 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 5.6 t-20 -66.58 147.85 52.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.86 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 35.0 t70 60.71 52.4 4.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.868 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 30.8 mtp -126.23 161.44 27.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.883 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.415 ' HB3' HD22 ' A' ' 73' ' ' LEU . 5.6 m170 -110.65 143.5 41.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.849 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.422 ' HB3' ' CZ3' ' A' ' 22' ' ' TRP . 27.9 p -163.19 175.69 10.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.872 -179.9 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -122.07 126.19 47.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.092 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.763 HG21 HG11 ' A' ' 65' ' ' VAL . 1.2 p -99.36 146.43 8.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.149 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.568 ' HB2' ' CH2' ' A' ' 38' ' ' TRP . 60.2 tttt -103.29 117.95 35.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.877 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 23.9 mt -77.25 151.54 5.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.094 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 49.9 mt-30 -89.85 -71.16 0.63 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.897 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -49.55 -28.72 5.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.896 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 53.0 mmtt -111.64 170.16 8.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.973 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -121.14 33.34 5.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.911 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 10.7 tm0? -116.69 134.86 54.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.912 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . 0.568 ' CH2' ' HB2' ' A' ' 31' ' ' LYS . 59.0 m95 -88.04 115.13 25.29 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.945 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 85.6 mtt180 -103.51 151.27 23.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.859 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.555 ' CZ ' HD11 ' A' ' 73' ' ' LEU . 46.6 mtt180 -92.49 140.2 29.81 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.883 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -134.28 162.8 24.61 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.486 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.402 ' O ' ' N ' ' A' ' 44' ' ' ILE . 31.4 tt0 -115.89 117.96 31.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.819 0.342 . . . . 0.0 110.914 -179.865 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.479 HG21 ' O ' ' A' ' 23' ' ' GLU . 51.2 mm -47.52 94.11 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.162 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.835 HD11 ' HB2' ' A' ' 55' ' ' LEU . 38.6 mt -72.71 -65.77 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.099 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 19.9 ptt180 -159.37 128.08 5.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.837 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.515 ' HG2' HG22 ' A' ' 52' ' ' VAL . 18.1 mtp -68.7 120.55 14.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.889 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.509 HG12 HG23 ' A' ' 48' ' ' THR . 40.5 t -84.63 -61.11 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.149 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.509 HG23 HG12 ' A' ' 47' ' ' VAL . 5.3 p -133.89 -177.75 4.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.129 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -69.88 -2.86 13.52 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.863 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.496 ' O ' HG22 ' A' ' 67' ' ' VAL . 13.5 p -129.92 -31.04 1.97 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.198 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.461 HD23 ' OD1' ' A' ' 66' ' ' ASN . 84.9 mt -96.85 151.79 19.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.902 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.777 ' O ' HG23 ' A' ' 64' ' ' VAL . 20.3 t -153.74 130.86 2.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.153 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 13.3 tt0 -84.22 123.85 30.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.903 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 2.7 m -128.99 163.15 34.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.117 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.835 ' HB2' HD11 ' A' ' 44' ' ' ILE . 6.4 tp -120.5 126.5 50.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.925 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.535 ' N ' HD12 ' A' ' 55' ' ' LEU . 35.5 mt -81.94 48.88 1.28 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.893 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.432 ' C ' ' O ' ' A' ' 56' ' ' LEU . 37.2 p90 -36.04 -33.91 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.94 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.434 ' N ' ' O ' ' A' ' 56' ' ' LEU . 10.1 t0 -52.82 -49.26 66.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.871 179.868 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.495 HG23 ' N ' ' A' ' 60' ' ' GLY . 34.1 m -100.2 -44.41 11.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.09 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . 0.495 ' N ' HG23 ' A' ' 59' ' ' VAL . . . 113.97 46.82 0.64 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.488 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 38.9 t -134.41 126.11 48.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.775 0.322 . . . . 0.0 111.167 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -90.59 119.99 31.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.941 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -152.11 176.18 11.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.913 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.777 HG23 ' O ' ' A' ' 52' ' ' VAL . 3.1 p -132.84 124.94 51.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.118 179.838 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.763 HG11 HG21 ' A' ' 30' ' ' VAL . 7.2 m -114.02 176.66 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.122 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . 0.461 ' OD1' HD23 ' A' ' 51' ' ' LEU . 21.5 t30 -91.43 141.05 29.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.858 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.496 HG22 ' O ' ' A' ' 50' ' ' THR . 27.8 m -57.01 -19.35 9.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.125 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.412 ' OD1' ' ND2' ' A' ' 66' ' ' ASN . 3.1 m-20 -66.55 -27.84 68.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.885 179.882 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 4.9 m -98.19 -17.03 19.23 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.897 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 25.8 mt -69.94 151.34 45.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.914 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 22.0 mmm180 -145.78 145.1 30.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.879 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.428 ' HD3' HG21 ' A' ' 20' ' ' VAL . 17.2 mmmt -69.01 135.5 50.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.907 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.555 HD11 ' CZ ' ' A' ' 40' ' ' ARG . 8.0 tp -73.46 99.08 2.9 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.875 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 37.5 mm-40 -65.09 136.47 56.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.914 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -54.69 -52.05 63.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.866 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -44.5 -52.52 7.86 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.89 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.551 HD13 ' CE2' ' A' ' 12' ' ' TYR . 74.5 mt . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.917 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 2.7 mtp . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.785 0.326 . . . . 0.0 110.919 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.784 ' H ' HD12 ' A' ' 9' ' ' ILE . 4.9 mp -46.6 -45.18 6.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.169 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -52.39 -61.03 2.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.143 179.77 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -59.82 -63.45 1.3 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.076 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 32.4 m-85 -41.99 -48.92 4.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.985 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -61.0 -47.18 87.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.908 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -57.43 -40.84 79.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.922 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 6.4 t -66.09 174.24 2.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.877 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.452 ' N ' ' HD2' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -136.96 152.06 49.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.909 179.925 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . 0.513 ' CD1' ' HA ' ' A' ' 68' ' ' ASP . 67.9 t90 -38.4 150.16 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.921 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -147.73 143.89 18.47 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.652 0.739 . . . . 0.0 110.884 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 99.56 0.75 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.701 2.268 . . . . 0.0 112.327 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.415 HG21 ' HD2' ' A' ' 72' ' ' LYS . 6.9 p -136.11 138.44 47.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.145 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 21.2 ttmm -81.17 110.94 17.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.908 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . 0.536 ' CZ3' ' HB3' ' A' ' 28' ' ' CYS . 74.0 m95 -77.62 113.42 15.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.879 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 80.4 mt-10 -99.77 161.19 13.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.858 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 -65.49 148.87 50.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.898 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 6.4 t70 58.12 50.26 10.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.903 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 23.8 mmm -117.91 171.84 7.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.892 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.431 ' HB3' HD22 ' A' ' 73' ' ' LEU . 7.1 m170 -116.17 135.94 53.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.83 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.536 ' HB3' ' CZ3' ' A' ' 22' ' ' TRP . 25.9 p -158.72 162.83 37.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.865 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -113.39 115.15 27.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.101 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.88 HG21 HG11 ' A' ' 65' ' ' VAL . 8.7 p -90.17 155.31 3.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.125 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.553 ' HB2' ' CH2' ' A' ' 38' ' ' TRP . 7.7 ttpm? -113.87 123.69 50.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.863 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.828 HD12 ' CG ' ' A' ' 37' ' ' GLN . 69.2 mt -72.25 140.33 18.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.142 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 4.4 mm100 -79.81 -50.45 10.51 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.877 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -61.11 -51.05 70.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.873 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.55 ' H ' HG22 ' A' ' 32' ' ' ILE . 4.1 mptp? -95.05 179.11 5.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.901 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 20.5 t-20 -118.69 39.35 3.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.889 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.828 ' CG ' HD12 ' A' ' 32' ' ' ILE . 10.2 pt20 -113.89 -179.01 3.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.888 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . 0.553 ' CH2' ' HB2' ' A' ' 31' ' ' LYS . 71.3 m95 -130.87 115.17 16.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.947 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.694 ' O ' HG12 ' A' ' 30' ' ' VAL . 21.2 mmt180 -104.24 141.61 35.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.84 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 70.8 mtt180 -76.67 146.83 37.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.896 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -145.0 152.6 24.63 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.474 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.495 ' O ' ' N ' ' A' ' 44' ' ' ILE . 50.3 tt0 -113.81 117.31 31.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.811 0.338 . . . . 0.0 110.938 -179.902 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 40.5 mm -44.63 90.51 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.101 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.865 HD11 ' HB2' ' A' ' 55' ' ' LEU . 41.3 mt -71.08 -65.99 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.102 179.821 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.406 ' O ' ' CG ' ' A' ' 45' ' ' ARG . 23.7 ptt180 -156.84 122.42 4.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.855 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.535 ' HG2' HG22 ' A' ' 52' ' ' VAL . 29.5 mtp -67.46 112.63 4.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.864 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.6 HG12 HG23 ' A' ' 48' ' ' THR . 36.0 t -75.46 -66.22 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.161 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.6 HG23 HG12 ' A' ' 47' ' ' VAL . 47.5 p -128.12 -176.21 3.73 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.113 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -71.77 -8.44 54.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.862 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 45.0 p -124.46 -20.82 5.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.123 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 85.9 mt -109.69 150.91 27.59 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.911 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.79 ' O ' HG23 ' A' ' 64' ' ' VAL . 49.0 t -155.49 132.06 2.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.133 179.834 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 9.7 tt0 -84.74 125.28 32.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.925 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 3.6 m -126.85 156.36 38.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.084 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.865 ' HB2' HD11 ' A' ' 44' ' ' ILE . 10.0 tp -112.59 120.36 41.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.891 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.456 ' O ' ' C ' ' A' ' 57' ' ' TYR . 40.4 mt -77.11 48.75 0.63 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.907 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.456 ' C ' ' O ' ' A' ' 56' ' ' LEU . 44.3 p90 -34.12 -37.06 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.92 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.44 ' OD1' ' C ' ' A' ' 56' ' ' LEU . 11.3 p-10 -48.99 -55.72 11.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.9 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.477 HG23 ' N ' ' A' ' 60' ' ' GLY . 34.5 m -95.15 -43.4 12.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.112 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . 0.477 ' N ' HG23 ' A' ' 59' ' ' VAL . . . 111.99 52.58 0.53 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.536 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 41.2 t -139.43 125.63 23.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.797 0.332 . . . . 0.0 111.098 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -88.42 120.69 30.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.887 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.415 HD22 ' HG ' ' A' ' 56' ' ' LEU . 0.8 OUTLIER -151.55 175.6 12.16 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.89 -179.964 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.79 HG23 ' O ' ' A' ' 52' ' ' VAL . 3.6 p -133.17 130.02 57.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.089 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.88 HG11 HG21 ' A' ' 30' ' ' VAL . 6.9 m -121.76 174.67 5.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.074 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . 0.426 ' ND2' ' OD2' ' A' ' 68' ' ' ASP . 3.8 t30 -86.98 137.05 32.68 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.871 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 16.4 m -53.49 -37.15 29.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.098 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.513 ' HA ' ' CD1' ' A' ' 17' ' ' TRP . 0.3 OUTLIER -54.8 -17.96 4.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.873 179.918 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 6.5 m -103.26 -23.25 13.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.869 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 48.9 mt -65.1 162.98 15.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.898 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 23.9 mtp85 -158.44 143.83 16.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.822 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.415 ' HD2' HG21 ' A' ' 20' ' ' VAL . 42.6 mtpt -66.02 126.51 28.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.905 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.431 HD22 ' HB3' ' A' ' 27' ' ' HIS . 3.4 tp -65.3 106.01 1.26 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.861 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -58.16 145.31 37.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.843 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 20.5 pt-20 -69.77 -43.39 72.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.922 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 39.1 m-20 -57.55 -53.1 62.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.886 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 23.7 mt . . . . . 0 C--N 1.328 -0.352 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.95 179.935 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . 0.72 ' HA ' HD13 ' A' ' 77' ' ' LEU . 1.6 mtp . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.768 0.318 . . . . 0.0 110.914 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.766 ' H ' HD12 ' A' ' 9' ' ' ILE . 4.3 mp -46.72 -41.53 5.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.167 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -54.88 -63.7 1.07 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.089 179.797 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.648 ' HB3' HD11 ' A' ' 77' ' ' LEU . . . -55.3 -54.86 38.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.109 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 24.7 m-85 -51.37 -44.62 62.16 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.868 -179.815 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -64.88 -55.57 18.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.837 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -53.22 -58.15 8.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.919 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 6.8 t -40.92 157.89 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.878 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 14.9 ptpt -112.29 169.79 8.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.876 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 46.2 t90 -65.77 127.55 32.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.918 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -130.66 141.48 42.11 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.612 0.72 . . . . 0.0 110.93 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.7 101.2 0.87 Allowed 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.711 2.274 . . . . 0.0 112.353 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.436 HG21 ' HD3' ' A' ' 72' ' ' LYS . 3.5 p -131.48 132.05 62.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.122 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -80.11 119.2 22.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.94 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . 0.521 ' CZ3' ' HB3' ' A' ' 28' ' ' CYS . 63.1 m95 -83.79 101.08 11.35 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.887 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.497 ' O ' HG21 ' A' ' 43' ' ' ILE . 41.3 mt-10 -82.79 160.68 22.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.903 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 12.6 m120 -66.65 153.03 44.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.918 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 55.5 m-20 59.22 48.97 9.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.89 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 26.6 mtp -122.05 168.17 12.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.873 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 65.3 m170 -123.84 138.26 54.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.882 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.521 ' HB3' ' CZ3' ' A' ' 22' ' ' TRP . 24.4 p -156.1 166.12 34.39 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.889 -179.911 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -105.6 113.54 27.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.082 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.76 HG21 HG11 ' A' ' 65' ' ' VAL . 7.4 p -95.5 155.61 3.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.166 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.534 ' HB2' ' CH2' ' A' ' 38' ' ' TRP . 18.4 ttpt -113.68 134.07 54.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.928 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.419 HG22 ' H ' ' A' ' 35' ' ' LYS . 20.3 mt -85.22 144.5 9.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.151 179.88 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -80.03 -61.36 2.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.883 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -58.34 -48.96 78.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.867 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.419 ' H ' HG22 ' A' ' 32' ' ' ILE . 11.2 mmtp -90.28 173.69 8.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.856 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 7.6 m120 -123.19 40.65 3.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.924 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 39.7 mt-30 -120.14 126.98 52.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.912 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . 0.534 ' CH2' ' HB2' ' A' ' 31' ' ' LYS . 42.0 m95 -82.52 108.62 16.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.948 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.447 ' CZ ' HG11 ' A' ' 59' ' ' VAL . 98.2 mtt180 -103.43 179.31 4.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.828 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -113.83 160.33 18.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.896 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -150.7 158.73 27.81 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.52 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.441 ' O ' ' N ' ' A' ' 44' ' ' ILE . 46.3 tt0 -108.25 121.35 44.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.791 0.329 . . . . 0.0 110.925 -179.9 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.497 HG21 ' O ' ' A' ' 23' ' ' GLU . 49.9 mm -51.24 89.08 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.162 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.951 HD11 ' HB2' ' A' ' 55' ' ' LEU . 52.9 mt -68.1 -69.58 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.176 179.864 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 9.4 ptp180 -155.05 124.57 6.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.866 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.463 ' HG2' HG22 ' A' ' 52' ' ' VAL . 30.2 mtp -67.15 115.43 6.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.883 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 38.6 t -78.08 -63.65 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.149 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.2 p -131.05 -178.21 4.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.157 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -68.71 -11.54 60.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.883 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.542 ' O ' HG22 ' A' ' 67' ' ' VAL . 69.4 p -121.14 -28.36 4.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.151 -179.86 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 77.1 mt -101.81 150.47 23.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.933 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.812 ' O ' HG23 ' A' ' 64' ' ' VAL . 25.2 t -152.92 132.42 3.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.151 179.846 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -84.24 122.06 28.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.907 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 2.6 m -127.01 157.2 38.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.142 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.951 ' HB2' HD11 ' A' ' 44' ' ' ILE . 10.2 tp -116.07 122.53 45.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.938 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.425 ' O ' ' C ' ' A' ' 57' ' ' TYR . 41.0 mt -78.49 49.39 0.86 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.924 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.425 ' C ' ' O ' ' A' ' 56' ' ' LEU . 40.4 p90 -35.96 -36.46 0.09 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.932 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -49.68 -49.83 45.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.908 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.51 HG23 ' N ' ' A' ' 60' ' ' GLY . 34.0 m -99.63 -44.98 11.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.095 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . 0.51 ' N ' HG23 ' A' ' 59' ' ' VAL . . . 114.04 49.99 0.52 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.466 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 42.1 t -137.31 125.11 31.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.808 0.337 . . . . 0.0 111.102 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -89.35 120.3 30.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.825 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -153.41 175.18 13.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.884 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.812 HG23 ' O ' ' A' ' 52' ' ' VAL . 3.2 p -132.72 127.07 55.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.126 179.831 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.76 HG11 HG21 ' A' ' 30' ' ' VAL . 10.7 m -117.44 170.16 7.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.128 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 31.5 t30 -84.7 131.28 34.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.946 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.542 HG22 ' O ' ' A' ' 50' ' ' THR . 25.7 m -46.73 -20.97 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.138 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -61.22 -38.76 87.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.878 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 4.1 m -87.35 -16.58 34.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.901 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.474 ' HB3' ' CZ2' ' A' ' 22' ' ' TRP . 19.4 mt -69.54 139.23 53.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.905 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 12.5 mmp_? -135.71 143.3 45.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.869 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.436 ' HD3' HG21 ' A' ' 20' ' ' VAL . 15.3 mtmm -69.1 124.12 22.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.906 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 7.4 tp -62.45 93.47 0.05 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.913 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -56.68 141.18 44.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.862 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 21.0 tt0 -68.01 -46.56 70.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.897 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -54.04 -36.21 62.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.886 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.72 HD13 ' HA ' ' A' ' 8' ' ' MET . 96.8 mt . . . . . 0 C--N 1.328 -0.368 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.966 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 3.0 mtp . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.765 0.317 . . . . 0.0 110.84 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.735 ' H ' HD12 ' A' ' 9' ' ' ILE . 5.3 mp -42.93 -45.17 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.185 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -53.84 -59.42 4.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.098 179.765 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.43 ' HB3' HD11 ' A' ' 77' ' ' LEU . . . -56.96 -58.52 7.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.106 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.453 ' HB3' ' CE2' ' A' ' 38' ' ' TRP . 37.8 m-85 -49.79 -62.95 1.27 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.896 -179.815 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -47.08 -43.96 20.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.896 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 28.2 m-20 -68.47 -23.9 64.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.846 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.1 m -79.01 -179.05 6.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.849 -179.846 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.418 ' HA ' ' NZ ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -141.22 159.51 42.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.925 179.955 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 44.9 t90 -56.74 138.63 52.66 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.94 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -135.03 144.22 49.33 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.643 0.735 . . . . 0.0 110.863 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 90.97 0.51 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.72 2.28 . . . . 0.0 112.36 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.448 HG11 ' HG3' ' A' ' 72' ' ' LYS . 7.4 p -122.16 138.56 51.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.142 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.1 ttmp? -86.53 109.26 18.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.91 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . 0.456 ' CD1' HG12 ' A' ' 67' ' ' VAL . 50.2 m95 -72.32 102.63 3.17 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.886 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.835 ' O ' HG21 ' A' ' 43' ' ' ILE . 18.3 mt-10 -86.95 177.66 7.18 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.923 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 29.3 m120 -79.69 147.47 31.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.918 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 38.6 t70 57.98 49.69 11.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.885 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 31.4 mtp -122.72 162.2 22.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.903 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 16.1 m170 -112.13 132.7 54.71 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.885 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.44 ' HB3' ' CZ3' ' A' ' 22' ' ' TRP . 24.4 p -149.41 165.74 31.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.873 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -105.4 132.85 51.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.124 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 1.8 p -107.12 130.09 59.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.106 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 13.8 tttm -101.44 126.86 48.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.864 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.57 HD11 ' NE ' ' A' ' 39' ' ' ARG . 13.6 mt -82.59 151.64 4.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.094 179.883 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 21.9 pt20 -96.39 -52.76 3.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.917 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -57.56 -17.96 16.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.841 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 21.3 mmmt -127.77 -177.98 4.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.914 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 59.0 t30 -123.99 36.87 4.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.84 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 43.3 mt-30 -117.65 151.37 37.35 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.924 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . 0.453 ' CE2' ' HB3' ' A' ' 12' ' ' TYR . 29.3 m95 -103.82 127.79 51.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.896 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.57 ' NE ' HD11 ' A' ' 32' ' ' ILE . 54.6 mtm180 -115.66 175.49 5.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.859 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 61.3 mtm180 -123.65 153.92 40.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.865 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -152.82 157.67 27.43 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.46 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.408 ' O ' ' N ' ' A' ' 44' ' ' ILE . 57.9 tt0 -108.94 114.42 28.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.78 0.324 . . . . 0.0 110.924 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.835 HG21 ' O ' ' A' ' 23' ' ' GLU . 50.1 mm -41.33 96.47 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.16 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.882 HD11 ' HB2' ' A' ' 55' ' ' LEU . 53.3 mt -74.83 -67.65 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.119 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 8.0 ptm180 -155.72 125.55 6.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.858 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.555 ' HG2' HG22 ' A' ' 52' ' ' VAL . 16.4 mtp -69.09 115.89 8.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.837 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.609 HG12 HG23 ' A' ' 48' ' ' THR . 45.9 t -80.38 -72.42 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.139 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.609 HG23 HG12 ' A' ' 47' ' ' VAL . 78.2 p -119.82 -177.37 3.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.169 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -71.4 -7.06 44.83 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.826 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.455 ' O ' HG22 ' A' ' 67' ' ' VAL . 46.3 p -125.01 -27.85 3.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.089 -179.842 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 30.7 mt -101.4 152.22 20.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.895 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.776 ' C ' HG23 ' A' ' 64' ' ' VAL . 20.2 t -154.08 133.01 3.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.097 179.844 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 9.1 tt0 -84.32 123.71 30.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.888 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 2.0 m -127.88 159.71 38.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.158 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.882 ' HB2' HD11 ' A' ' 44' ' ' ILE . 6.8 tp -116.46 120.68 39.55 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.861 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.534 HD12 ' HB ' ' A' ' 61' ' ' VAL . 37.0 mt -75.92 51.0 0.62 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.921 179.856 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 30.8 p90 -38.38 -31.12 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.871 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.408 ' N ' ' O ' ' A' ' 56' ' ' LEU . 8.6 p-10 -55.03 -48.01 73.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.852 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.496 HG23 ' N ' ' A' ' 60' ' ' GLY . 27.7 m -102.99 -45.1 10.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.181 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . 0.496 ' N ' HG23 ' A' ' 59' ' ' VAL . . . 115.65 48.79 0.49 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.493 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.534 ' HB ' HD12 ' A' ' 56' ' ' LEU . 39.2 t -136.58 124.7 34.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.786 0.327 . . . . 0.0 111.152 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 51.3 mt-10 -89.22 120.62 30.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.864 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -151.95 174.4 13.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.922 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.776 HG23 ' C ' ' A' ' 52' ' ' VAL . 3.7 p -130.62 127.67 62.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.126 179.805 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 4.1 m -119.65 172.21 7.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.108 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 14.3 t30 -86.5 131.7 34.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.93 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.487 ' HA ' HD12 ' A' ' 70' ' ' LEU . 19.6 m -45.92 -25.77 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.154 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -57.86 -39.94 78.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.852 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 3.5 m -82.98 -29.08 29.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.872 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.487 HD12 ' HA ' ' A' ' 67' ' ' VAL . 71.7 mt -61.8 145.23 53.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.871 -179.883 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 7.8 tpp180 -136.54 148.84 47.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.858 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.448 ' HG3' HG11 ' A' ' 20' ' ' VAL . 12.7 mtpt -68.0 137.22 54.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.926 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.446 HD12 ' OH ' ' A' ' 12' ' ' TYR . 3.0 tp -85.23 97.96 10.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.928 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -60.62 156.26 17.0 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.925 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 -72.67 -39.18 67.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.896 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -51.16 -36.66 42.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.903 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.43 HD11 ' HB3' ' A' ' 11' ' ' ALA . 92.2 mt . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.875 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.9 mtp . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.796 0.331 . . . . 0.0 110.882 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.794 ' H ' HD12 ' A' ' 9' ' ' ILE . 4.9 mp -43.68 -56.92 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.14 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.436 ' O ' ' CB ' ' A' ' 14' ' ' ASN . . . -46.07 -51.67 13.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.063 179.821 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -57.35 -60.26 3.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.146 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.63 ' CZ ' HD13 ' A' ' 77' ' ' LEU . 25.2 m-85 -53.22 -66.15 0.44 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.891 -179.88 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -49.22 -33.12 11.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.864 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.436 ' CB ' ' O ' ' A' ' 10' ' ' ALA . 6.5 t-20 -72.17 -36.22 69.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.845 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.4 t -80.59 176.5 9.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 27.1 mtmt -121.04 173.17 7.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.917 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . 0.493 ' CH2' ' HA ' ' A' ' 19' ' ' PRO . 89.4 t90 -60.36 157.41 13.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.854 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.427 ' CD ' ' HD2' ' A' ' 19' ' ' PRO . 7.8 tp10 -147.96 137.64 12.29 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.657 0.742 . . . . 0.0 110.923 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.493 ' HA ' ' CH2' ' A' ' 17' ' ' TRP . 53.9 Cg_endo -69.76 92.38 0.51 Allowed 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.683 2.255 . . . . 0.0 112.328 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 2.5 p -129.76 126.49 62.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.135 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 9.9 tptp -73.25 112.79 9.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.871 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 58.0 m95 -75.43 117.71 17.51 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.906 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 66.5 mt-10 -108.04 151.42 25.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.869 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -56.64 161.22 2.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.907 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 26.6 t0 53.71 49.78 18.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.885 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 33.9 mtp -127.51 165.41 19.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.886 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 7.7 m170 -120.27 132.9 55.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.862 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 6.1 p -151.35 168.3 25.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.895 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -109.14 116.84 32.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.143 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.93 HG21 HG11 ' A' ' 65' ' ' VAL . 4.4 p -95.28 148.75 4.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.141 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.436 ' HB2' ' CH2' ' A' ' 38' ' ' TRP . 31.8 ttpt -106.33 130.1 54.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.872 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 41.0 mt -93.92 136.95 23.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.141 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 11.9 mm100 -75.74 -67.28 0.68 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.927 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 36.0 m-20 -45.33 -44.63 11.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.85 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 2.5 mppt? -97.1 173.21 7.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.857 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 14.1 t30 -122.12 31.6 6.13 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.864 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 4.8 pt20 -120.23 135.96 54.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.932 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . 0.436 ' CH2' ' HB2' ' A' ' 31' ' ' LYS . 25.0 m95 -87.52 118.84 27.26 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.903 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.414 ' CZ ' HD13 ' A' ' 56' ' ' LEU . 22.4 mtm180 -107.52 165.76 11.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.902 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 56.9 mtm180 -105.52 151.71 23.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.848 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -147.88 160.08 28.22 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.479 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 34.1 tt0 -110.32 123.26 49.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.787 0.327 . . . . 0.0 110.923 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 45.0 mm -52.05 94.1 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.084 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.837 HD11 ' HB2' ' A' ' 55' ' ' LEU . 46.5 mt -72.15 -68.13 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.115 179.835 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 17.1 ptt180 -155.42 125.83 6.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.85 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.411 ' HG2' HG22 ' A' ' 52' ' ' VAL . 47.3 mtp -68.78 119.83 13.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.885 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.721 HG12 HG23 ' A' ' 48' ' ' THR . 57.6 t -82.72 -65.43 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.132 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.721 HG23 HG12 ' A' ' 47' ' ' VAL . 73.2 p -126.89 -179.16 4.69 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.143 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 33.8 m-20 -70.05 -4.2 19.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.877 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.481 ' O ' HG22 ' A' ' 67' ' ' VAL . 45.3 p -127.99 -28.22 2.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.144 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.494 HD23 ' OD1' ' A' ' 66' ' ' ASN . 42.1 mt -101.99 153.0 20.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.956 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.773 ' O ' HG23 ' A' ' 64' ' ' VAL . 29.3 t -156.17 131.8 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.15 179.807 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 11.6 tt0 -84.33 124.1 30.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.842 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 2.0 m -125.21 166.49 20.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.126 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.837 ' HB2' HD11 ' A' ' 44' ' ' ILE . 9.3 tp -122.25 119.21 30.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.904 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.492 ' HG ' HD22 ' A' ' 63' ' ' LEU . 27.1 mt -75.86 48.74 0.49 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.91 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.441 ' C ' ' O ' ' A' ' 56' ' ' LEU . 41.6 p90 -35.15 -34.25 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.91 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.447 ' N ' ' O ' ' A' ' 56' ' ' LEU . 16.0 t70 -51.1 -50.07 59.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.86 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.453 HG23 ' N ' ' A' ' 60' ' ' GLY . 34.1 m -101.17 -41.71 8.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.123 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . 0.453 ' N ' HG23 ' A' ' 59' ' ' VAL . . . 111.18 49.65 0.66 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.483 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 38.7 t -136.56 125.49 36.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.778 0.323 . . . . 0.0 111.109 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -87.77 121.27 29.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.902 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.492 HD22 ' HG ' ' A' ' 56' ' ' LEU . 0.9 OUTLIER -151.58 176.55 11.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.897 -179.964 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.773 HG23 ' O ' ' A' ' 52' ' ' VAL . 3.2 p -134.69 123.3 41.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.126 179.852 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.93 HG11 HG21 ' A' ' 30' ' ' VAL . 5.6 m -115.48 171.24 4.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.109 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . 0.494 ' OD1' HD23 ' A' ' 51' ' ' LEU . 21.4 t30 -82.94 137.04 34.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.884 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.548 ' HA ' HD12 ' A' ' 70' ' ' LEU . 30.1 m -53.4 -36.24 26.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.149 179.881 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.478 ' OD1' ' N ' ' A' ' 69' ' ' CYS . 0.6 OUTLIER -54.89 -26.49 36.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.834 179.969 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . 0.478 ' N ' ' OD1' ' A' ' 68' ' ' ASP . 3.1 m -93.68 -21.43 19.36 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.91 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.548 HD12 ' HA ' ' A' ' 67' ' ' VAL . 74.2 mt -70.98 151.84 44.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.936 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 12.4 mmm180 -145.06 145.5 31.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.925 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 7.4 mtpm? -66.42 140.2 58.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.899 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 6.6 tp -83.86 110.35 18.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.898 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -68.19 155.65 39.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.884 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -53.45 -50.56 65.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.898 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 12.4 t-20 -69.97 -45.7 66.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.886 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.63 HD13 ' CZ ' ' A' ' 12' ' ' TYR . 74.6 mt . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.963 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 5.8 mtp . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.722 0.296 . . . . 0.0 110.88 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.762 ' H ' HD12 ' A' ' 9' ' ' ILE . 4.6 mp -48.95 -41.96 13.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.173 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -50.29 -57.94 6.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.063 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.6 -55.09 30.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.082 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.415 ' CD1' ' HD3' ' A' ' 71' ' ' ARG . 26.0 m-85 -50.55 -32.47 18.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.959 -179.863 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -76.98 -51.92 10.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.861 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -60.33 -57.43 12.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.903 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.7 t -47.18 174.93 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.851 -179.822 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.58 156.78 41.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.91 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . 0.566 ' CD1' ' HA ' ' A' ' 68' ' ' ASP . 73.6 t90 -55.39 135.93 49.87 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.953 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.43 ' CD ' ' HD2' ' A' ' 19' ' ' PRO . 5.1 tp10 -128.58 139.47 35.67 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.642 0.734 . . . . 0.0 110.918 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.43 ' HD2' ' CD ' ' A' ' 18' ' ' GLU . 52.9 Cg_endo -69.83 99.21 0.74 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.651 2.234 . . . . 0.0 112.322 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 1.5 p -129.5 135.56 61.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.147 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 14.5 tppt? -73.98 116.55 14.74 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.897 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . 0.448 ' CZ3' ' HB3' ' A' ' 28' ' ' CYS . 83.4 m95 -83.31 125.1 31.26 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.899 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -113.51 152.98 29.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.891 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 12.0 m120 -62.54 144.76 55.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.938 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 71.07 43.53 0.65 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.846 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 37.9 mtp -123.2 160.26 26.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.871 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 5.1 m170 -105.73 138.06 42.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.855 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.448 ' HB3' ' CZ3' ' A' ' 22' ' ' TRP . 31.4 p -157.67 164.35 37.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.869 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -113.81 116.56 29.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.079 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.814 HG21 HG11 ' A' ' 65' ' ' VAL . 2.2 p -92.73 144.78 8.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.143 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.573 ' HB2' ' CH2' ' A' ' 38' ' ' TRP . 24.2 ttpt -102.12 117.45 34.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.933 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 16.4 mt -69.06 139.12 20.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.125 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 10.5 mm-40 -73.39 -75.28 0.15 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.927 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -51.91 -52.44 49.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.885 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -70.39 160.18 32.79 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.899 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 24.7 m-20 -113.38 36.11 3.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.864 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.449 ' CD ' ' N ' ' A' ' 38' ' ' TRP . 0.0 OUTLIER -123.91 -174.95 3.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.942 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . 0.573 ' CH2' ' HB2' ' A' ' 31' ' ' LYS . 40.2 m95 -130.07 119.6 23.34 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.97 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 65.1 mtt180 -109.08 155.76 20.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.908 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 1.1 mpp_? -99.83 146.4 26.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.887 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -142.25 164.87 26.82 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.512 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 39.8 tt0 -116.14 122.22 44.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.845 0.355 . . . . 0.0 110.881 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 38.0 mm -49.53 95.4 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.143 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.851 HD11 ' HB2' ' A' ' 55' ' ' LEU . 47.6 mt -74.2 -65.79 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.128 179.868 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.437 ' O ' ' CG ' ' A' ' 45' ' ' ARG . 21.2 ptt180 -157.8 121.57 4.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.899 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 28.4 mtp -65.3 116.98 7.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.905 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.671 HG12 HG23 ' A' ' 48' ' ' THR . 42.0 t -78.44 -62.85 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.176 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.671 HG23 HG12 ' A' ' 47' ' ' VAL . 24.3 p -134.47 -176.36 4.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.12 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -73.54 0.19 13.3 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.903 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.651 ' O ' HG22 ' A' ' 67' ' ' VAL . 76.9 p -128.48 -28.86 2.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.176 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.517 ' O ' HG23 ' A' ' 52' ' ' VAL . 21.4 mt -107.87 158.13 17.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.937 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.803 ' O ' HG23 ' A' ' 64' ' ' VAL . 19.9 t -158.37 133.27 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.15 179.842 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -84.29 123.55 30.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.93 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 2.8 m -124.67 163.23 25.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.12 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.851 ' HB2' HD11 ' A' ' 44' ' ' ILE . 9.4 tp -119.54 121.51 39.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.865 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.42 ' O ' ' N ' ' A' ' 58' ' ' ASP . 59.1 mt -77.96 51.7 0.99 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.938 179.864 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 44.0 p90 -38.18 -30.57 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.888 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.42 ' N ' ' O ' ' A' ' 56' ' ' LEU . 5.1 m-20 -54.91 -47.65 74.08 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.904 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.493 HG23 ' N ' ' A' ' 60' ' ' GLY . 35.0 m -104.91 -43.96 8.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.121 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . 0.493 ' N ' HG23 ' A' ' 59' ' ' VAL . . . 113.35 51.51 0.5 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.5 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 39.9 t -137.32 126.51 35.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.815 0.34 . . . . 0.0 111.138 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -88.25 121.25 30.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.909 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -152.62 175.03 13.23 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.912 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.803 HG23 ' O ' ' A' ' 52' ' ' VAL . 2.8 p -132.61 130.36 59.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.156 179.822 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.814 HG11 HG21 ' A' ' 30' ' ' VAL . 9.5 m -121.55 170.84 11.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.11 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 3.4 t30 -80.53 136.29 36.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.917 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.651 HG22 ' O ' ' A' ' 50' ' ' THR . 6.7 m -54.22 -39.43 42.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.093 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.566 ' HA ' ' CD1' ' A' ' 17' ' ' TRP . 0.7 OUTLIER -52.65 -21.14 3.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.848 179.955 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . 0.491 ' N ' ' OD1' ' A' ' 68' ' ' ASP . 18.8 m -96.81 -31.56 12.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.852 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.43 HD22 ' SG ' ' A' ' 28' ' ' CYS . 64.8 mt -57.78 160.41 4.55 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.904 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.415 ' HD3' ' CD1' ' A' ' 12' ' ' TYR . 8.1 mtp85 -151.9 143.86 23.79 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.837 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 14.1 mmmt -69.11 130.63 43.26 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.856 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 1.8 tp -82.78 118.45 23.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.91 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 44.7 mm-40 -92.19 151.12 20.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.872 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.466 ' HG3' ' N ' ' A' ' 76' ' ' ASN . 12.9 pt-20 -70.06 -48.38 58.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.928 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . 0.466 ' N ' ' HG3' ' A' ' 75' ' ' GLU . 1.2 p-10 -50.87 -36.48 38.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.929 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 35.3 mt . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.911 179.976 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.9 mtp . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.776 0.322 . . . . 0.0 110.858 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.772 ' H ' HD12 ' A' ' 9' ' ' ILE . 5.1 mp -47.08 -42.3 6.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.112 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.71 -63.56 1.25 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.078 179.826 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -49.95 -54.43 19.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.106 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.432 ' O ' ' C ' ' A' ' 13' ' ' GLU . 49.7 m-85 -57.48 -69.68 0.16 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.891 -179.839 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.432 ' C ' ' O ' ' A' ' 12' ' ' TYR . 21.0 tt0 -35.51 -51.71 0.63 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.903 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 11.9 m-20 -63.22 -46.02 88.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.857 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 22.3 t -62.8 142.97 57.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.833 -179.828 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 6.8 mtmp? -92.4 179.2 5.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.901 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . 0.447 ' CD1' ' HA ' ' A' ' 68' ' ' ASP . 89.9 t90 -71.3 161.05 31.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.905 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.432 ' CD ' ' HD2' ' A' ' 19' ' ' PRO . 25.6 tp10 -150.19 137.28 11.38 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.608 0.718 . . . . 0.0 110.874 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.432 ' HD2' ' CD ' ' A' ' 18' ' ' GLU . 53.3 Cg_endo -69.8 98.99 0.72 Allowed 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.734 2.289 . . . . 0.0 112.325 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 2.3 p -134.1 143.19 39.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.167 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 13.6 ttpp -85.86 115.74 23.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.922 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 67.5 m95 -80.65 120.68 24.89 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.899 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.49 ' O ' HG21 ' A' ' 43' ' ' ILE . 49.0 mt-10 -101.67 167.53 10.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.873 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 5.2 t-20 -74.51 148.21 41.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.909 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 71.2 m-20 62.26 45.66 6.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.863 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 29.8 mtp -118.75 162.88 17.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.868 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 6.6 m170 -112.25 142.98 44.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.872 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 14.4 p -163.61 172.11 14.79 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.902 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -115.28 120.27 39.11 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.116 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.893 HG21 HG11 ' A' ' 65' ' ' VAL . 5.6 p -98.83 151.04 4.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.082 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 20.7 ttpt -106.55 119.06 38.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.916 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 31.1 mt -69.93 142.98 15.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.142 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 43.5 mt-30 -76.3 -73.67 0.27 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.882 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 72.1 m-20 -46.66 -49.97 18.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.901 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 12.5 mmmt -87.46 -177.85 6.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.878 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 66.5 m-80 -130.15 31.03 4.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.883 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 8.6 tp60 -111.93 149.91 31.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.937 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . 0.5 ' CD1' HG23 ' A' ' 9' ' ' ILE . 65.4 m95 -97.77 121.17 39.36 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.911 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 14.8 mmt-85 -111.03 154.75 23.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.859 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 38.4 mtm180 -90.65 136.24 33.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.866 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -133.55 159.77 23.77 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.526 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.462 ' O ' ' N ' ' A' ' 44' ' ' ILE . 50.9 tt0 -117.16 119.79 36.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.82 0.343 . . . . 0.0 110.911 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.49 HG21 ' O ' ' A' ' 23' ' ' GLU . 45.0 mm -46.75 91.1 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.175 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.885 HD11 ' HB2' ' A' ' 55' ' ' LEU . 41.1 mt -70.39 -65.34 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.164 179.881 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 6.0 ptm180 -157.58 124.77 5.13 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.849 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 32.1 mtp -68.87 114.49 7.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.846 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.646 HG12 HG23 ' A' ' 48' ' ' THR . 58.4 t -79.56 -68.07 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.094 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.646 HG23 HG12 ' A' ' 47' ' ' VAL . 73.8 p -122.11 -179.29 4.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.141 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -71.26 -5.33 31.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.898 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.527 ' O ' HG22 ' A' ' 67' ' ' VAL . 63.3 p -126.5 -27.02 3.2 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.112 -179.86 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.425 HD23 ' OD1' ' A' ' 66' ' ' ASN . 43.0 mt -103.38 153.62 20.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.962 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.789 ' O ' HG23 ' A' ' 64' ' ' VAL . 73.6 t -155.97 134.0 2.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.126 179.851 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 18.1 tt0 -84.55 125.58 32.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.919 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 2.6 m -126.88 158.76 37.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.154 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.885 ' HB2' HD11 ' A' ' 44' ' ' ILE . 8.3 tp -116.1 118.7 33.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.931 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.435 ' O ' ' C ' ' A' ' 57' ' ' TYR . 36.7 mt -76.78 47.66 0.52 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.92 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.503 ' CD1' ' N ' ' A' ' 58' ' ' ASP . 25.7 p90 -35.0 -37.82 0.07 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.959 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.503 ' N ' ' CD1' ' A' ' 57' ' ' TYR . 20.1 t0 -48.43 -50.16 32.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.899 179.863 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.495 HG23 ' N ' ' A' ' 60' ' ' GLY . 34.4 m -98.88 -44.38 11.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.087 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . 0.495 ' N ' HG23 ' A' ' 59' ' ' VAL . . . 113.44 49.95 0.54 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.737 -0.745 . . . . 0.0 112.465 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 42.7 t -138.39 125.89 28.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.786 0.327 . . . . 0.0 111.135 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 -90.42 119.35 30.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.897 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -151.48 175.23 12.5 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.867 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.789 HG23 ' O ' ' A' ' 52' ' ' VAL . 3.4 p -131.79 129.44 61.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.133 179.812 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.893 HG11 HG21 ' A' ' 30' ' ' VAL . 4.3 m -121.39 172.12 8.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.139 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . 0.425 ' OD1' HD23 ' A' ' 51' ' ' LEU . 24.5 t30 -83.22 136.43 34.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.892 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.527 HG22 ' O ' ' A' ' 50' ' ' THR . 31.2 m -53.07 -36.69 25.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.156 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.447 ' HA ' ' CD1' ' A' ' 17' ' ' TRP . 0.5 OUTLIER -57.05 -21.37 30.81 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.858 179.922 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 1.8 m -96.14 -23.27 16.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.867 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 80.5 mt -68.45 152.67 45.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.966 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.488 ' HG3' ' CH2' ' A' ' 38' ' ' TRP . 8.4 mmp_? -140.65 143.7 35.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.863 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 16.5 mtpp -69.07 127.56 33.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.882 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 3.8 tp -75.06 100.56 4.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.905 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -57.43 -175.51 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.856 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -95.68 -36.94 11.02 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.903 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 17.1 t-20 -62.93 -48.21 79.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.872 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 15.7 mt . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.921 179.97 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . 0.41 ' HA ' HD22 ' A' ' 77' ' ' LEU . 1.9 mtp . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.77 0.319 . . . . 0.0 110.848 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.746 ' H ' HD12 ' A' ' 9' ' ' ILE . 5.3 mp -46.84 -49.57 6.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.156 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -52.86 -51.73 59.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.141 179.76 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.29 -60.11 4.04 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.096 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 21.0 m-85 -48.01 -47.51 33.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.957 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.15 -53.35 59.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.877 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -55.12 -59.52 4.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.898 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.4 t -48.03 153.44 0.66 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.837 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -110.1 150.12 29.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.897 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 91.5 t90 -41.17 150.12 0.09 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.921 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.431 ' CD ' ' HD2' ' A' ' 19' ' ' PRO . 35.4 tp10 -145.16 137.39 13.29 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.64 0.733 . . . . 0.0 110.869 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.431 ' HD2' ' CD ' ' A' ' 18' ' ' GLU . 53.6 Cg_endo -69.76 93.79 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.665 2.243 . . . . 0.0 112.32 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 5.6 p -126.67 134.52 66.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.151 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 30.7 ttmt -79.42 111.27 15.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.889 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . 0.548 ' CZ2' ' HB3' ' A' ' 70' ' ' LEU . 80.4 m95 -74.29 122.77 23.39 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.891 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -106.33 151.8 24.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.91 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 30.2 m120 -61.03 143.24 55.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.822 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 26.7 t0 70.96 48.15 0.4 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.864 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 25.9 mtp -128.14 167.72 16.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.903 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 29.2 m170 -117.88 146.71 43.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.866 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.478 ' HB3' ' CZ3' ' A' ' 22' ' ' TRP . 9.0 p -163.17 163.2 25.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.873 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -107.45 124.57 50.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.086 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.894 HG21 HG11 ' A' ' 65' ' ' VAL . 6.6 p -111.09 138.99 37.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.111 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.519 ' HB2' ' CH2' ' A' ' 38' ' ' TRP . 23.9 ttpt -88.48 117.54 27.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.89 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.511 HG22 ' H ' ' A' ' 35' ' ' LYS . 79.2 mt -73.15 136.41 25.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.167 179.823 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 14.8 pt20 -79.71 -45.2 19.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.924 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -59.01 -52.04 67.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.877 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.511 ' H ' HG22 ' A' ' 32' ' ' ILE . 1.1 mptp? -98.16 -176.78 3.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.92 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 5.5 m-80 -120.06 36.44 4.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.86 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 16.0 mm100 -117.34 178.91 4.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.963 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . 0.534 ' CD1' HG23 ' A' ' 9' ' ' ILE . 52.3 m95 -124.28 110.65 14.87 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.888 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.44 ' NH1' HG11 ' A' ' 59' ' ' VAL . 4.4 mmt85 -107.57 138.33 43.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.869 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.438 ' NH1' ' HB3' ' A' ' 58' ' ' ASP . 4.8 ptt85 -92.99 145.4 24.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.855 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -134.87 172.67 21.89 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.484 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 43.6 tt0 -108.81 122.28 46.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.75 0.31 . . . . 0.0 110.929 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 47.9 mm -50.28 94.49 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.103 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.829 HD11 ' HB2' ' A' ' 55' ' ' LEU . 53.3 mt -70.89 -66.47 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.137 179.856 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 3.8 ptm180 -157.24 131.05 8.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.896 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.474 ' HG2' HG22 ' A' ' 52' ' ' VAL . 16.9 mtp -73.54 110.85 8.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.852 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 30.8 t -74.07 -65.9 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.138 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.2 p -128.62 -176.23 3.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.175 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -72.82 -2.09 19.25 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.895 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.423 ' O ' HG22 ' A' ' 67' ' ' VAL . 17.0 p -128.68 -29.31 2.39 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.127 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.444 HD23 ' OD1' ' A' ' 66' ' ' ASN . 88.2 mt -101.47 153.35 19.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.915 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.824 ' O ' HG23 ' A' ' 64' ' ' VAL . 20.3 t -154.87 132.09 2.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.127 179.782 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.416 ' O ' ' N ' ' A' ' 44' ' ' ILE . 12.9 tt0 -84.27 123.98 30.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.882 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 2.1 m -126.19 157.48 36.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.171 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.829 ' HB2' HD11 ' A' ' 44' ' ' ILE . 11.0 tp -116.01 123.09 47.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.906 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.49 ' O ' ' N ' ' A' ' 58' ' ' ASP . 23.8 mt -81.63 44.41 0.81 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.915 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.436 ' C ' ' O ' ' A' ' 56' ' ' LEU . 42.1 p90 -33.9 -33.82 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.932 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.635 ' OD2' HG13 ' A' ' 59' ' ' VAL . 5.2 p-10 -50.93 -54.85 20.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.869 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.635 HG13 ' OD2' ' A' ' 58' ' ' ASP . 26.8 m -95.65 -37.54 7.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.13 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 108.05 53.33 0.66 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.495 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 42.8 t -141.86 126.24 16.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.773 0.32 . . . . 0.0 111.142 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -91.75 118.82 31.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.885 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.455 HD23 ' C ' ' A' ' 63' ' ' LEU . 0.5 OUTLIER -150.47 175.88 11.46 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.921 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.824 HG23 ' O ' ' A' ' 52' ' ' VAL . 3.5 p -133.17 128.97 56.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.182 179.804 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.894 HG11 HG21 ' A' ' 30' ' ' VAL . 5.3 m -118.96 170.96 7.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.09 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . 0.444 ' OD1' HD23 ' A' ' 51' ' ' LEU . 18.6 t30 -85.56 134.05 34.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.904 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.423 HG22 ' O ' ' A' ' 50' ' ' THR . 33.8 m -51.22 -19.11 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.153 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -62.48 -31.21 71.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.882 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 45.9 m -95.63 -19.51 19.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.894 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.548 ' HB3' ' CZ2' ' A' ' 22' ' ' TRP . 26.9 mt -61.82 145.09 53.69 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.921 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 2.2 mmp_? -139.9 146.86 39.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.89 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 28.3 mtmm -71.77 112.58 7.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.925 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 2.4 tp -64.03 94.67 0.11 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.952 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -59.79 163.24 4.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.881 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -72.76 -47.37 47.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.829 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 16.1 m-80 -57.22 -56.77 17.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.873 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.41 HD22 ' HA ' ' A' ' 8' ' ' MET . 55.8 mt . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.922 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . 0.785 ' HA ' HD22 ' A' ' 77' ' ' LEU . 2.1 mtp . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.758 0.313 . . . . 0.0 110.859 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.76 ' H ' HD12 ' A' ' 9' ' ' ILE . 5.4 mp -47.46 -41.7 7.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.097 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.95 -59.75 4.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.152 179.814 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.419 ' HB3' HD11 ' A' ' 77' ' ' LEU . . . -56.42 -59.7 4.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.107 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 29.1 m-85 -50.08 -46.76 53.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.883 -179.795 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -54.98 -61.5 2.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.915 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 39.6 t-20 -56.02 -57.01 13.94 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.871 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.8 m -48.86 139.27 10.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.865 -179.835 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 88.6 mttt -99.66 151.65 20.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.931 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . 0.419 ' CH2' ' HA ' ' A' ' 19' ' ' PRO . 82.9 t90 -44.17 157.02 0.06 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.928 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -149.75 143.92 17.23 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.639 0.733 . . . . 0.0 110.889 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.419 ' HA ' ' CH2' ' A' ' 17' ' ' TRP . 53.8 Cg_endo -69.74 96.73 0.6 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.634 2.223 . . . . 0.0 112.358 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 5.8 p -129.39 135.65 61.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.111 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 12.8 ttmm -86.22 116.73 24.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.922 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . 0.542 ' CH2' ' HB3' ' A' ' 28' ' ' CYS . 93.3 m95 -80.83 138.38 36.22 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.898 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.476 ' O ' ' CG ' ' A' ' 26' ' ' MET . 2.5 pt-20 -125.28 136.08 53.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.879 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.412 ' C ' ' O ' ' A' ' 23' ' ' GLU . 15.4 m120 -37.15 153.02 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.909 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 38.7 m-20 56.26 50.11 13.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.835 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . 0.476 ' CG ' ' O ' ' A' ' 23' ' ' GLU . 23.9 mmm -121.48 165.24 15.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.842 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 16.8 m170 -117.45 141.48 48.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.876 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.542 ' HB3' ' CH2' ' A' ' 22' ' ' TRP . 7.7 p -164.53 162.28 21.67 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.908 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -101.39 114.07 27.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.091 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.498 ' N ' ' O ' ' A' ' 39' ' ' ARG . 2.3 p -90.41 144.01 10.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.132 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.56 ' HB2' ' CH2' ' A' ' 38' ' ' TRP . 6.3 ttpm? -103.12 135.21 45.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.873 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.529 HD12 ' HB3' ' A' ' 35' ' ' LYS . 4.3 mt -88.7 149.23 4.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.144 179.855 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 15.8 pt20 -87.47 -55.71 3.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.914 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -72.61 -41.86 65.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.863 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.529 ' HB3' HD12 ' A' ' 32' ' ' ILE . 0.0 OUTLIER -78.2 157.84 29.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.858 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . 0.496 ' O ' ' NE2' ' A' ' 37' ' ' GLN . 4.3 m120 -110.66 40.41 2.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.855 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.496 ' NE2' ' O ' ' A' ' 36' ' ' ASN . 5.1 mp0 -134.46 179.42 6.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.902 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . 0.56 ' CH2' ' HB2' ' A' ' 31' ' ' LYS . 43.2 m95 -120.44 117.07 26.74 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.944 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.498 ' O ' ' N ' ' A' ' 30' ' ' VAL . 13.6 mmp_? -104.22 165.82 10.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.884 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 83.1 mtm180 -116.25 144.07 44.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.837 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -136.88 161.28 25.09 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.445 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.463 ' O ' ' N ' ' A' ' 44' ' ' ILE . 34.8 tt0 -107.49 119.35 39.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.795 0.331 . . . . 0.0 110.895 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.45 ' CG1' ' HB2' ' A' ' 26' ' ' MET . 49.4 mm -48.27 89.97 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.129 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.895 HD11 ' HB2' ' A' ' 55' ' ' LEU . 41.5 mt -68.95 -66.89 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.116 179.846 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 9.0 ptm180 -156.08 127.03 6.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.862 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 19.5 mtp -69.94 112.62 6.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.861 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 12.7 t -73.98 -64.33 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.144 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 15.9 p -130.63 -177.02 4.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.144 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 27.8 m-20 -72.91 1.82 8.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.843 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.502 ' O ' HG22 ' A' ' 67' ' ' VAL . 16.8 p -131.06 -31.32 1.7 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.112 -179.884 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 51.6 mt -103.21 154.75 19.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.937 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.764 ' O ' HG23 ' A' ' 64' ' ' VAL . 54.0 t -153.66 133.96 4.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.192 179.854 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.42 ' O ' ' N ' ' A' ' 44' ' ' ILE . 11.1 tt0 -84.34 123.0 29.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.893 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 2.4 m -126.67 160.74 34.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.14 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.895 ' HB2' HD11 ' A' ' 44' ' ' ILE . 8.7 tp -119.65 121.47 39.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.928 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.584 HD12 ' HB ' ' A' ' 61' ' ' VAL . 34.4 mt -77.75 49.3 0.75 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.879 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.432 ' C ' ' O ' ' A' ' 56' ' ' LEU . 50.9 p90 -35.98 -37.35 0.1 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.952 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.498 ' OD1' ' N ' ' A' ' 58' ' ' ASP . 3.1 p-10 -49.92 -49.74 48.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.855 179.888 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.537 HG23 ' N ' ' A' ' 60' ' ' GLY . 35.4 m -99.41 -47.06 12.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.109 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . 0.537 ' N ' HG23 ' A' ' 59' ' ' VAL . . . 116.16 48.16 0.49 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.501 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.584 ' HB ' HD12 ' A' ' 56' ' ' LEU . 38.5 t -135.76 125.04 40.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.788 0.328 . . . . 0.0 111.154 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -89.41 120.9 31.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.916 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -151.19 175.81 11.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.927 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.764 HG23 ' O ' ' A' ' 52' ' ' VAL . 3.6 p -134.42 125.89 47.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.156 179.814 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.451 HG11 HG21 ' A' ' 30' ' ' VAL . 3.9 m -118.43 172.4 5.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.132 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . 0.403 HD22 ' CB ' ' A' ' 68' ' ' ASP . 12.6 t30 -84.91 136.5 33.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.915 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.502 HG22 ' O ' ' A' ' 50' ' ' THR . 15.7 m -46.89 -26.88 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.109 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.403 ' CB ' HD22 ' A' ' 66' ' ' ASN . 32.6 t0 -62.35 -37.55 86.09 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.85 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 17.8 m -80.76 -24.92 38.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.904 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.436 HD12 ' HA ' ' A' ' 67' ' ' VAL . 80.0 mt -67.11 149.7 50.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.929 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 66.6 mmt-85 -139.61 137.6 35.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.921 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 31.1 mtpt -63.94 129.24 39.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.921 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 2.3 tp -85.68 92.71 8.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.923 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.41 ' CD ' ' HG ' ' A' ' 77' ' ' LEU . 10.1 pt-20 -63.09 -178.0 0.2 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.855 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -85.26 -54.84 4.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.914 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -45.35 -58.84 3.02 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.884 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.785 HD22 ' HA ' ' A' ' 8' ' ' MET . 66.7 mt . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.954 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . 0.751 ' HA ' HD22 ' A' ' 77' ' ' LEU . 1.8 mtp . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.788 0.328 . . . . 0.0 110.88 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.758 ' H ' HD12 ' A' ' 9' ' ' ILE . 5.3 mp -43.53 -48.27 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.158 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.82 -63.67 1.1 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.095 179.79 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -45.06 -57.75 3.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.109 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 32.1 m-85 -56.26 -43.22 78.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.893 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -53.11 -62.27 1.76 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.89 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -60.94 -42.42 98.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.874 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 49.4 p -53.1 141.94 21.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.82 -179.841 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 8.5 ptpp? -100.6 159.18 15.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.899 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . 0.421 ' NE1' ' HA ' ' A' ' 68' ' ' ASP . 89.1 t90 -63.15 157.82 21.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.901 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -156.76 140.13 11.16 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.629 0.728 . . . . 0.0 110.849 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 94.48 0.53 Allowed 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.676 2.251 . . . . 0.0 112.37 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 3.1 p -128.85 117.16 43.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.111 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.9 tppp? -68.27 117.54 10.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.916 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 88.2 m95 -80.53 119.2 22.88 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.884 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -94.97 155.91 16.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.83 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 5.8 m120 -60.55 141.97 55.94 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.887 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 10.7 t70 70.08 50.42 0.44 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.846 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 36.8 mtp -128.96 168.98 15.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.91 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.819 ' HB3' HD22 ' A' ' 73' ' ' LEU . 13.8 m170 -117.51 141.04 48.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.822 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.417 ' SG ' HD22 ' A' ' 70' ' ' LEU . 25.7 p -153.46 177.56 10.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.894 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -122.42 120.32 33.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.118 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.855 HG21 HG11 ' A' ' 65' ' ' VAL . 5.6 p -94.97 148.58 4.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.155 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.498 ' HB2' ' CH2' ' A' ' 38' ' ' TRP . 44.4 tttt -104.99 112.92 26.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.942 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.519 HG22 ' H ' ' A' ' 35' ' ' LYS . 36.9 mt -71.41 140.77 17.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.104 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -75.35 -74.4 0.21 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.935 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -53.39 -40.96 65.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.858 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.519 ' H ' HG22 ' A' ' 32' ' ' ILE . 7.3 tptt -89.95 154.31 19.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.902 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 7.9 t-20 -107.24 31.41 5.4 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.886 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 -117.92 154.71 31.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.89 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . 0.498 ' CH2' ' HB2' ' A' ' 31' ' ' LYS . 48.2 m95 -107.71 115.23 29.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.904 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.757 ' O ' HG12 ' A' ' 30' ' ' VAL . 31.0 mtm180 -106.01 134.8 48.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.852 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 21.0 ptt180 -81.31 148.89 29.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.9 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -140.21 178.46 19.87 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.477 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 38.0 tt0 -118.6 122.07 41.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.757 0.313 . . . . 0.0 110.972 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 49.0 mm -52.92 92.46 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.142 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.872 HD11 ' HB2' ' A' ' 55' ' ' LEU . 53.9 mt -71.25 -70.02 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.142 179.859 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.425 ' O ' ' CG ' ' A' ' 45' ' ' ARG . 20.5 ptt85 -152.9 122.85 6.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.871 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.663 ' HG2' HG22 ' A' ' 52' ' ' VAL . 33.8 mtp -68.27 117.61 10.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.882 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.649 HG12 HG23 ' A' ' 48' ' ' THR . 43.5 t -78.43 -71.08 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.133 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.649 HG23 HG12 ' A' ' 47' ' ' VAL . 44.6 p -122.91 -175.84 3.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.099 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -75.08 -0.08 17.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.876 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.569 ' O ' HG22 ' A' ' 67' ' ' VAL . 58.9 p -127.61 -27.37 2.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.155 -179.883 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.537 HD23 ' OD1' ' A' ' 66' ' ' ASN . 6.4 mt -108.97 159.65 16.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.875 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.809 ' O ' HG23 ' A' ' 64' ' ' VAL . 20.0 t -158.42 135.83 2.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.14 179.813 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 11.7 tt0 -85.59 123.04 30.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.938 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 2.4 m -124.76 165.92 21.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.147 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.872 ' HB2' HD11 ' A' ' 44' ' ' ILE . 6.9 tp -121.48 120.82 36.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.934 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.466 ' N ' HD12 ' A' ' 55' ' ' LEU . 30.1 mt -79.76 46.59 0.79 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.913 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.44 ' C ' ' O ' ' A' ' 56' ' ' LEU . 30.0 p90 -35.26 -36.22 0.06 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.928 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.434 ' N ' ' CD1' ' A' ' 57' ' ' TYR . 6.5 p-10 -48.69 -49.78 36.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.918 179.857 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.453 HG23 ' N ' ' A' ' 60' ' ' GLY . 35.1 m -100.83 -42.16 9.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.129 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . 0.453 ' N ' HG23 ' A' ' 59' ' ' VAL . . . 112.76 49.16 0.6 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.513 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 43.0 t -137.36 126.69 35.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.816 0.341 . . . . 0.0 111.119 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -92.78 118.61 31.27 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.863 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.446 ' O ' HD23 ' A' ' 63' ' ' LEU . 0.5 OUTLIER -150.04 175.73 11.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.951 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.809 HG23 ' O ' ' A' ' 52' ' ' VAL . 3.5 p -131.54 133.85 61.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.093 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.855 HG11 HG21 ' A' ' 30' ' ' VAL . 5.4 m -125.54 176.64 5.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.126 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . 0.537 ' OD1' HD23 ' A' ' 51' ' ' LEU . 5.5 t30 -88.18 136.74 32.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.875 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.569 HG22 ' O ' ' A' ' 50' ' ' THR . 16.1 m -52.09 -40.57 30.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.127 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.421 ' HA ' ' NE1' ' A' ' 17' ' ' TRP . 0.5 OUTLIER -53.67 -20.03 4.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.885 179.923 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 2.6 m -98.92 -23.42 15.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.873 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.417 HD22 ' SG ' ' A' ' 28' ' ' CYS . 87.2 mt -70.1 156.73 38.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.969 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 3.4 mmp_? -140.66 157.94 44.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.879 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 26.1 mtpp -77.06 117.72 18.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.94 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.819 HD22 ' HB3' ' A' ' 27' ' ' HIS . 2.1 tp -69.26 100.73 1.36 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.963 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 24.2 mm-40 -80.44 149.97 29.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.877 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 25.6 tt0 -55.21 -54.46 43.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.887 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 14.6 p-10 -47.08 -50.27 20.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.902 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.751 HD22 ' HA ' ' A' ' 8' ' ' MET . 51.3 mt . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.931 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 4.0 mtp . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.721 0.296 . . . . 0.0 110.843 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.783 ' H ' HD12 ' A' ' 9' ' ' ILE . 5.4 mp -42.68 -43.25 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.155 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -56.59 -59.66 4.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.085 179.804 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -54.77 -57.27 12.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.157 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.567 ' CD1' ' HB3' ' A' ' 71' ' ' ARG . 40.2 m-85 -51.6 -57.32 9.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.917 -179.881 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 9.6 tm-20 -51.35 -54.68 23.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.853 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 8.8 t30 -54.66 -44.6 73.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.862 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.1 t -64.16 162.3 14.7 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.846 -179.825 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.3 mmmp? -116.35 173.91 6.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.861 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . 0.439 ' CH2' ' HA ' ' A' ' 19' ' ' PRO . 79.8 t90 -55.91 142.99 33.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.945 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 16.8 tp10 -135.08 134.79 21.9 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.628 0.727 . . . . 0.0 110.933 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.439 ' HA ' ' CH2' ' A' ' 17' ' ' TRP . 53.9 Cg_endo -69.72 96.5 0.59 Allowed 'Trans proline' 0 C--O 1.231 0.144 0 C-N-CA 122.744 2.296 . . . . 0.0 112.337 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 4.8 p -135.2 140.14 45.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.105 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 25.2 ttmt -88.62 114.8 25.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.886 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . 0.565 ' CZ3' ' HB3' ' A' ' 28' ' ' CYS . 78.8 m95 -76.08 113.9 14.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.943 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -95.99 158.99 15.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.859 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 8.9 m120 -59.92 157.55 12.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.908 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 46.0 49.48 12.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.918 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . 0.471 ' HB2' ' CG1' ' A' ' 43' ' ' ILE . 39.7 mmm -113.38 172.84 6.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.896 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 13.4 m170 -121.68 139.86 53.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.862 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.565 ' HB3' ' CZ3' ' A' ' 22' ' ' TRP . 24.8 p -162.73 168.99 20.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.846 -179.878 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -111.17 124.25 51.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.057 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.752 HG21 HG11 ' A' ' 65' ' ' VAL . 7.2 p -106.02 154.29 7.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.148 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.438 ' N ' HG22 ' A' ' 30' ' ' VAL . 16.6 ttpp -108.93 121.31 44.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.905 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.448 HG22 ' H ' ' A' ' 35' ' ' LYS . 29.5 mt -68.64 140.72 18.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.146 179.88 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.425 ' HG3' ' N ' ' A' ' 34' ' ' ASP . 27.4 pt20 -81.54 -52.96 6.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.892 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.425 ' N ' ' HG3' ' A' ' 33' ' ' GLN . 18.1 m-20 -61.87 -46.89 87.47 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.865 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.456 ' HD3' ' N ' ' A' ' 35' ' ' LYS . 0.0 OUTLIER -98.41 -178.58 4.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.911 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 14.2 m120 -123.86 36.47 4.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.868 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 72.6 mt-30 -114.95 132.34 56.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.91 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . 0.483 ' CD1' HG23 ' A' ' 9' ' ' ILE . 42.8 m95 -82.55 111.37 18.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.88 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 5.1 mmp_? -104.79 172.15 6.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.877 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -107.0 156.92 18.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.883 -179.905 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -148.54 162.96 28.96 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.492 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.449 ' O ' ' N ' ' A' ' 44' ' ' ILE . 36.6 tt0 -116.75 118.1 31.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.779 0.323 . . . . 0.0 110.892 -179.906 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.471 ' CG1' ' HB2' ' A' ' 26' ' ' MET . 45.7 mm -47.42 91.61 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.148 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.838 HD11 ' HB2' ' A' ' 55' ' ' LEU . 54.1 mt -70.7 -66.67 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.148 179.863 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 6.4 ptm180 -154.96 121.27 5.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.875 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.559 ' HG2' HG22 ' A' ' 52' ' ' VAL . 37.2 mtp -67.77 111.98 4.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.908 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.445 HG12 HG23 ' A' ' 48' ' ' THR . 18.9 t -75.25 -68.56 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.127 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.445 HG23 HG12 ' A' ' 47' ' ' VAL . 75.0 p -125.32 172.59 9.47 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.156 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 66.9 m-20 -58.23 -12.03 3.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.914 179.844 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.483 ' O ' HG22 ' A' ' 67' ' ' VAL . 72.2 p -120.58 -35.36 3.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.169 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 68.4 mt -91.88 146.82 23.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.888 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.78 ' C ' HG23 ' A' ' 64' ' ' VAL . 37.2 t -152.75 130.27 2.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.15 179.835 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.416 ' O ' ' N ' ' A' ' 44' ' ' ILE . 12.8 tt0 -84.32 121.66 27.84 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.902 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.432 HG12 HD13 ' A' ' 43' ' ' ILE . 6.1 m -124.11 156.48 31.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.173 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.838 ' HB2' HD11 ' A' ' 44' ' ' ILE . 11.7 tp -111.85 120.67 42.72 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.918 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.421 ' O ' ' C ' ' A' ' 57' ' ' TYR . 47.8 mt -78.43 49.86 0.89 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.907 179.892 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.421 ' C ' ' O ' ' A' ' 56' ' ' LEU . 39.2 p90 -36.84 -35.52 0.09 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.919 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -50.3 -48.45 55.1 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.843 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.506 HG23 ' N ' ' A' ' 60' ' ' GLY . 33.7 m -101.51 -45.11 11.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.126 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . 0.506 ' N ' HG23 ' A' ' 59' ' ' VAL . . . 114.75 48.24 0.55 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.516 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 43.1 t -136.09 126.25 41.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.791 0.329 . . . . 0.0 111.156 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -91.34 118.92 30.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.883 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -152.23 176.24 11.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.927 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.78 HG23 ' C ' ' A' ' 52' ' ' VAL . 3.5 p -129.66 131.34 66.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.1 179.823 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.752 HG11 HG21 ' A' ' 30' ' ' VAL . 13.6 m -124.12 164.61 22.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.124 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 25.9 t30 -78.45 132.75 37.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.855 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.483 HG22 ' O ' ' A' ' 50' ' ' THR . 19.1 m -49.39 -19.33 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.155 179.893 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -63.88 -37.15 86.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.848 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 7.9 m -85.3 -27.05 26.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.921 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 35.9 mt -61.26 138.79 58.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.927 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.567 ' HB3' ' CD1' ' A' ' 12' ' ' TYR . 51.9 mmt-85 -126.04 144.89 50.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.933 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 36.9 mtmt -71.55 118.78 14.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.932 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 3.6 tp -67.28 96.69 0.5 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.914 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 37.6 mm-40 -64.11 145.74 55.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.86 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -61.68 -26.0 67.75 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.883 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 16.3 t-20 -71.56 -59.75 2.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.889 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 81.0 mt . . . . . 0 C--N 1.328 -0.359 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.894 179.979 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . 0.85 ' HA ' HD22 ' A' ' 77' ' ' LEU . 6.2 mtp . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.77 0.319 . . . . 0.0 110.913 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.781 ' H ' HD12 ' A' ' 9' ' ' ILE . 4.9 mp -54.42 -44.62 67.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.151 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -56.62 -49.87 73.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.119 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.8 -59.4 4.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.066 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.543 ' OH ' HD12 ' A' ' 73' ' ' LEU . 42.4 m-85 -47.75 -50.63 24.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.986 -179.893 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -60.88 -45.69 93.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.887 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -60.1 -38.11 81.97 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.885 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.2 t -72.63 179.04 3.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.897 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.413 ' O ' ' C ' ' A' ' 17' ' ' TRP . 3.7 mtmp? -136.11 144.62 45.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.892 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . 0.413 ' C ' ' O ' ' A' ' 16' ' ' LYS . 48.5 t90 -37.29 130.33 0.92 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.904 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -122.03 140.32 32.02 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.616 0.722 . . . . 0.0 110.91 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 91.42 0.51 Allowed 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.665 2.244 . . . . 0.0 112.353 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.61 HG21 ' HD3' ' A' ' 72' ' ' LYS . 4.1 p -126.56 137.73 56.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.106 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 22.2 tptp -86.25 110.82 19.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.896 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . 0.546 ' CZ3' ' HB3' ' A' ' 28' ' ' CYS . 82.4 m95 -73.04 123.44 23.54 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.928 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -107.27 156.63 18.66 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.86 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 26.9 t-20 -56.33 144.27 31.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.87 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 4.5 t70 61.66 51.92 3.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.83 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 26.8 mmm -122.8 164.59 18.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.887 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 17.7 m170 -114.55 147.82 38.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.845 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.766 ' SG ' HD22 ' A' ' 70' ' ' LEU . 26.6 p -167.05 157.88 11.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.872 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -97.37 114.94 26.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.118 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.607 HG21 HG11 ' A' ' 65' ' ' VAL . 4.6 p -89.82 149.02 4.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.098 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.529 ' HB2' ' CH2' ' A' ' 38' ' ' TRP . 36.1 tttt -108.66 125.06 51.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.916 179.864 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 39.0 mt -82.64 144.09 10.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.165 179.855 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 16.8 pt20 -91.36 -39.06 12.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.957 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -75.67 -14.71 60.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.894 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 38.1 mmtt -127.06 176.29 7.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.955 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 50.2 t30 -119.84 36.35 4.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.882 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 50.6 mt-30 -116.42 177.38 4.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.921 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . 0.529 ' CH2' ' HB2' ' A' ' 31' ' ' LYS . 52.4 m95 -129.73 111.57 12.78 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.921 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.405 ' O ' ' N ' ' A' ' 30' ' ' VAL . 97.1 mtt180 -105.42 178.21 4.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.83 -179.909 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -116.97 162.57 17.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.847 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -153.1 162.28 30.05 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.488 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 42.6 tt0 -113.1 116.2 29.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.797 0.332 . . . . 0.0 110.932 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 47.4 mm -46.24 96.53 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.096 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.942 HD11 ' HB2' ' A' ' 55' ' ' LEU . 69.6 mt -77.0 -67.65 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.153 179.823 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.424 ' O ' ' CG ' ' A' ' 45' ' ' ARG . 19.6 ptt180 -154.11 121.28 5.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 49.6 mtp -68.04 112.52 5.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.883 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.65 HG12 HG23 ' A' ' 48' ' ' THR . 78.4 t -73.7 -66.97 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.156 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.65 HG23 HG12 ' A' ' 47' ' ' VAL . 46.7 p -125.0 173.55 8.6 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.117 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 69.9 m-20 -61.35 -9.08 4.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.892 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.634 ' O ' HG22 ' A' ' 67' ' ' VAL . 15.4 p -121.73 -34.24 3.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.123 -179.9 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.446 ' O ' HG23 ' A' ' 52' ' ' VAL . 35.7 mt -95.33 154.42 17.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.904 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.768 ' C ' HG23 ' A' ' 64' ' ' VAL . 47.6 t -157.21 132.24 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.18 179.821 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 16.3 tt0 -84.31 122.68 29.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.886 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 4.8 m -124.43 162.71 25.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.117 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.942 ' HB2' HD11 ' A' ' 44' ' ' ILE . 12.4 tp -119.5 121.01 38.46 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.911 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.599 HD12 ' HB ' ' A' ' 61' ' ' VAL . 33.3 mt -77.32 47.84 0.59 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.904 179.885 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.45 ' C ' ' O ' ' A' ' 56' ' ' LEU . 47.7 p90 -34.33 -38.9 0.07 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.909 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -48.27 -51.43 25.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.869 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.512 HG23 ' N ' ' A' ' 60' ' ' GLY . 34.1 m -97.56 -45.66 12.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.121 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . 0.512 ' N ' HG23 ' A' ' 59' ' ' VAL . . . 114.56 48.07 0.56 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.427 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.599 ' HB ' HD12 ' A' ' 56' ' ' LEU . 40.3 t -136.11 125.76 39.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.786 0.327 . . . . 0.0 111.165 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 -89.11 120.6 30.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.85 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.401 HD22 ' HG ' ' A' ' 56' ' ' LEU . 1.0 OUTLIER -150.66 176.49 10.96 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.956 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.768 HG23 ' C ' ' A' ' 52' ' ' VAL . 4.1 p -134.51 125.77 47.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.161 179.816 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.607 HG11 HG21 ' A' ' 30' ' ' VAL . 6.3 m -120.07 168.14 12.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.114 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 35.9 t30 -82.07 134.11 35.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.89 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.634 HG22 ' O ' ' A' ' 50' ' ' THR . 15.6 m -47.18 -29.16 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.152 179.878 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 15.0 t0 -58.09 -37.26 74.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.906 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 5.6 m -80.47 -34.24 36.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.888 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.766 HD22 ' SG ' ' A' ' 28' ' ' CYS . 61.4 mt -57.06 150.95 16.05 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.945 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 12.2 mmt85 -142.9 149.35 38.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.888 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.61 ' HD3' HG21 ' A' ' 20' ' ' VAL . 1.7 mmmm -66.78 132.92 49.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.906 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.543 HD12 ' OH ' ' A' ' 12' ' ' TYR . 3.7 tp -93.4 93.2 8.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -69.6 160.61 31.22 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.873 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -68.66 -38.44 80.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.843 -179.878 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 5.7 m-20 -46.12 -58.24 3.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.895 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.85 HD22 ' HA ' ' A' ' 8' ' ' MET . 11.9 mt . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.924 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 3.2 mtp . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.738 0.304 . . . . 0.0 110.858 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.694 ' H ' HD12 ' A' ' 9' ' ' ILE . 5.2 mp -49.26 -42.19 15.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.115 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.06 -59.49 4.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.071 179.829 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -52.18 -54.74 27.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.133 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 35.4 m-85 -57.05 -55.77 30.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.883 -179.831 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -47.21 -61.81 1.72 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.892 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -52.06 -47.23 65.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.936 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.0 m -63.45 143.07 58.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.889 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 15.0 ptpt -90.84 158.06 17.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.869 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . 0.506 ' CG ' ' N ' ' A' ' 18' ' ' GLU . 84.5 t90 -47.8 168.14 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.923 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.506 ' N ' ' CG ' ' A' ' 17' ' ' TRP . 7.3 tp10 -156.58 136.37 8.45 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.662 0.744 . . . . 0.0 110.859 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 100.86 0.85 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.702 2.268 . . . . 0.0 112.308 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 1.7 p -132.81 122.02 45.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.141 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 32.5 tttt -68.23 107.05 2.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.928 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . 0.506 ' CZ3' ' HB3' ' A' ' 28' ' ' CYS . 66.7 m95 -70.92 111.07 6.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.927 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -90.38 155.05 19.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.942 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.488 HD22 ' N ' ' A' ' 25' ' ' ASP . 0.4 OUTLIER -58.68 156.38 11.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.889 -179.917 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.488 ' N ' HD22 ' A' ' 24' ' ' ASN . 0.5 OUTLIER 47.71 52.21 12.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.844 179.873 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . 0.463 ' HB2' ' CG1' ' A' ' 43' ' ' ILE . 27.2 mmm -118.47 174.29 6.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.895 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 19.1 m170 -119.82 140.68 50.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.878 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.506 ' HB3' ' CZ3' ' A' ' 22' ' ' TRP . 24.8 p -161.88 168.63 22.68 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.864 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -112.66 119.32 37.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.122 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.958 HG21 HG11 ' A' ' 65' ' ' VAL . 12.6 p -99.57 154.57 4.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.116 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.422 ' N ' HG22 ' A' ' 30' ' ' VAL . 13.7 ttpp -111.92 125.68 54.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.866 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.647 HG22 ' H ' ' A' ' 35' ' ' LYS . 63.7 mt -78.71 138.0 20.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.147 179.843 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.409 ' HG3' ' N ' ' A' ' 34' ' ' ASP . 28.1 pt20 -81.18 -46.16 15.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.905 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.409 ' N ' ' HG3' ' A' ' 33' ' ' GLN . 19.5 t0 -62.55 -39.14 92.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.837 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.647 ' H ' HG22 ' A' ' 32' ' ' ILE . 12.0 mptt -108.31 -177.06 3.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.885 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -125.96 40.7 3.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.928 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -125.44 137.56 53.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.899 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 56.0 m95 -84.75 124.8 31.95 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.932 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.403 ' CZ ' HG11 ' A' ' 59' ' ' VAL . 56.1 mtt180 -111.34 179.98 3.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.892 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 89.5 mtm180 -118.14 142.58 47.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.86 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -142.68 148.64 20.43 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.524 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.465 ' O ' ' N ' ' A' ' 44' ' ' ILE . 48.9 tt0 -100.38 117.71 35.13 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.768 0.318 . . . . 0.0 110.906 -179.832 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.463 ' CG1' ' HB2' ' A' ' 26' ' ' MET . 47.1 mm -44.24 91.81 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.158 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.756 HD11 ' HB2' ' A' ' 55' ' ' LEU . 32.0 mt -68.32 -64.18 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.161 179.821 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.402 ' HB2' ' NH1' ' A' ' 45' ' ' ARG . 0.2 OUTLIER -158.77 125.7 4.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.88 179.948 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.639 ' HG2' HG22 ' A' ' 52' ' ' VAL . 14.0 mtp -68.53 107.81 3.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.895 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 11.2 t -71.48 -68.7 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.128 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.3 p -129.18 -177.47 4.25 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.147 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -72.5 -6.33 43.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.844 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 48.0 p -125.52 -13.61 6.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.111 -179.84 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 74.7 mt -121.19 152.61 38.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.893 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.773 ' C ' HG23 ' A' ' 64' ' ' VAL . 19.9 t -154.91 133.08 2.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.13 179.851 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.42 ' O ' ' N ' ' A' ' 44' ' ' ILE . 12.7 tt0 -84.29 125.11 31.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.926 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -126.13 158.07 35.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.102 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.85 HD13 ' HG3' ' A' ' 62' ' ' GLU . 3.5 tp -115.73 119.66 36.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.955 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.566 HD12 ' HB ' ' A' ' 61' ' ' VAL . 66.2 mt -75.74 48.97 0.49 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.944 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.429 ' C ' ' O ' ' A' ' 56' ' ' LEU . 40.5 p90 -36.24 -30.39 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.926 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.491 ' N ' ' O ' ' A' ' 56' ' ' LEU . 10.6 p-10 -55.26 -49.38 72.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.837 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.434 HG23 ' N ' ' A' ' 60' ' ' GLY . 35.6 m -101.82 -40.9 7.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.108 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . 0.434 ' N ' HG23 ' A' ' 59' ' ' VAL . . . 116.14 34.51 1.34 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.513 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.566 ' HB ' HD12 ' A' ' 56' ' ' LEU . 41.2 t -125.69 124.11 65.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.817 0.341 . . . . 0.0 111.122 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.85 ' HG3' HD13 ' A' ' 55' ' ' LEU . 7.3 mp0 -95.19 117.2 29.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.862 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -143.83 168.77 19.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.903 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.773 HG23 ' C ' ' A' ' 52' ' ' VAL . 4.8 p -119.98 127.94 75.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.163 179.831 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.958 HG11 HG21 ' A' ' 30' ' ' VAL . 4.6 m -120.58 172.01 8.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.145 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 3.9 t30 -82.7 130.68 35.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.885 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 13.4 m -46.44 -29.49 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.098 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.4 ' OD1' ' C ' ' A' ' 68' ' ' ASP . 6.3 t0 -52.43 -37.98 58.06 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.859 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 9.1 m -86.68 -27.99 23.42 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.873 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 32.2 mt -62.22 134.78 56.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.909 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 48.5 mmm-85 -135.28 149.97 49.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.882 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 44.5 mtmt -67.0 135.05 53.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.903 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 3.2 tp -87.57 94.86 9.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.918 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 38.0 mm-40 -52.3 166.25 0.19 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.881 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -78.95 -56.72 4.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.909 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 8.0 m-20 -52.47 -57.4 10.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.929 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 68.9 mt . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.929 179.903 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . 0.53 ' HA ' HD22 ' A' ' 77' ' ' LEU . 1.9 mtp . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.717 0.294 . . . . 0.0 110.85 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.76 ' H ' HD12 ' A' ' 9' ' ' ILE . 5.1 mp -44.8 -38.92 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.099 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.11 -60.88 2.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.121 179.808 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -56.99 -55.27 36.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.123 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 30.8 m-85 -51.0 -54.02 28.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.955 -179.868 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -57.85 -52.7 64.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.891 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 5.8 t30 -53.41 -42.63 67.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.883 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 7.3 t -67.57 158.49 31.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.86 -179.868 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 42.3 mttp -109.58 175.26 5.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.882 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 80.7 t90 -63.88 142.64 58.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.975 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -139.77 131.6 14.77 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.645 0.736 . . . . 0.0 110.887 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 100.34 0.82 Allowed 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.661 2.241 . . . . 0.0 112.287 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.415 HG13 ' O ' ' A' ' 20' ' ' VAL . 2.7 p -134.82 111.97 14.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.093 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 19.1 ttmt -60.52 93.3 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.905 179.858 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . 0.518 ' CZ3' ' HB3' ' A' ' 28' ' ' CYS . 92.1 m95 -57.59 119.39 6.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.935 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.716 ' O ' HG21 ' A' ' 43' ' ' ILE . 42.5 mt-10 -96.11 174.53 6.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.87 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.432 ' O ' ' CG ' ' A' ' 25' ' ' ASP . 26.6 t-20 -74.17 160.3 31.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.892 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.432 ' CG ' ' O ' ' A' ' 24' ' ' ASN . 2.2 p30 46.11 50.7 11.6 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.837 179.889 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 25.1 mtp -119.79 175.43 5.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.902 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.802 ' HB3' HD22 ' A' ' 73' ' ' LEU . 10.9 m170 -122.84 138.0 54.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.865 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.518 ' HB3' ' CZ3' ' A' ' 22' ' ' TRP . 25.8 p -158.61 161.75 37.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.876 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -106.25 134.51 49.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.106 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.804 HG21 HG11 ' A' ' 65' ' ' VAL . 4.0 p -116.06 157.12 17.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.107 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.544 ' HB2' ' CZ2' ' A' ' 38' ' ' TRP . 17.0 ttpp -103.22 133.96 47.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.931 179.876 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 10.5 mt -89.01 143.49 11.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.144 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 17.9 mt-30 -79.75 -62.87 1.55 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.9 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -53.21 -46.0 68.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.853 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 8.9 mmtp -98.3 -179.91 4.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.883 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 80.5 m-20 -123.86 36.13 4.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.906 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -112.06 -175.4 2.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.875 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . 0.544 ' CZ2' ' HB2' ' A' ' 31' ' ' LYS . 30.6 m95 -135.59 111.93 9.81 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.931 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.709 ' O ' HG12 ' A' ' 30' ' ' VAL . 10.8 mtt85 -106.85 135.88 47.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.861 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 3.2 ptp85 -80.49 141.49 35.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.877 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -129.63 171.85 20.11 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.459 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.443 ' O ' ' N ' ' A' ' 44' ' ' ILE . 12.7 tt0 -108.33 120.57 42.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.806 0.336 . . . . 0.0 110.894 -179.882 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.716 HG21 ' O ' ' A' ' 23' ' ' GLU . 44.6 mm -52.57 88.33 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.159 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.825 HD11 ' HB2' ' A' ' 55' ' ' LEU . 54.9 mt -65.79 -69.44 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.15 179.885 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 6.9 ptm180 -156.47 123.87 5.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.869 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.556 ' HG2' HG22 ' A' ' 52' ' ' VAL . 39.6 mtp -67.81 108.41 2.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.851 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.601 HG12 HG23 ' A' ' 48' ' ' THR . 44.2 t -66.75 -67.69 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.114 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.601 HG23 HG12 ' A' ' 47' ' ' VAL . 32.4 p -125.16 -177.09 3.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.138 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -74.44 -1.1 19.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.894 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.575 ' O ' HG22 ' A' ' 67' ' ' VAL . 0.9 OUTLIER -125.78 -26.42 3.49 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.132 -179.905 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.599 HD23 ' OD1' ' A' ' 66' ' ' ASN . 3.1 mt -111.12 158.53 18.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.901 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.799 ' O ' HG23 ' A' ' 64' ' ' VAL . 39.5 t -154.21 134.94 4.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.089 179.82 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -84.85 121.41 27.68 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.888 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 2.1 m -124.01 158.78 30.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.1 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.825 ' HB2' HD11 ' A' ' 44' ' ' ILE . 6.6 tp -116.57 120.16 37.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.915 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.453 ' N ' HD12 ' A' ' 55' ' ' LEU . 29.3 mt -78.31 46.75 0.64 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.951 179.849 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.444 ' C ' ' O ' ' A' ' 56' ' ' LEU . 36.7 p90 -33.95 -36.81 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.972 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.433 ' N ' ' O ' ' A' ' 56' ' ' LEU . 2.0 p-10 -49.37 -53.82 20.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.882 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.457 HG23 ' N ' ' A' ' 60' ' ' GLY . 34.4 m -95.45 -42.31 12.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.156 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . 0.457 ' N ' HG23 ' A' ' 59' ' ' VAL . . . 111.85 49.38 0.63 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.498 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 41.5 t -137.67 126.02 32.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.815 0.341 . . . . 0.0 111.096 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -92.18 119.52 31.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.885 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -151.19 174.46 13.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.874 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.799 HG23 ' O ' ' A' ' 52' ' ' VAL . 3.5 p -132.46 128.17 57.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.1 179.851 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.804 HG11 HG21 ' A' ' 30' ' ' VAL . 4.9 m -118.49 171.9 6.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.136 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . 0.599 ' OD1' HD23 ' A' ' 51' ' ' LEU . 15.3 t30 -84.63 133.62 34.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.886 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.575 HG22 ' O ' ' A' ' 50' ' ' THR . 27.7 m -47.32 -21.22 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.102 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 83.6 m-20 -61.93 -38.05 87.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.844 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 5.2 m -85.84 -25.81 26.04 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.935 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.401 ' O ' ' CZ ' ' A' ' 71' ' ' ARG . 56.8 mt -62.97 139.02 58.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.906 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.401 ' CZ ' ' O ' ' A' ' 70' ' ' LEU . 10.4 mmp_? -134.64 153.87 51.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.84 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 6.0 mtpm? -69.74 117.96 11.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.873 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.802 HD22 ' HB3' ' A' ' 27' ' ' HIS . 4.9 tp -67.5 97.38 0.58 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.971 179.876 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 29.9 mm-40 -62.21 159.45 14.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.88 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 15.8 tt0 -73.94 -48.97 26.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.901 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -49.92 -54.43 19.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.886 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.53 HD22 ' HA ' ' A' ' 8' ' ' MET . 90.3 mt . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.919 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . 0.658 ' HA ' HD22 ' A' ' 77' ' ' LEU . 1.3 mtt . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.773 0.32 . . . . 0.0 110.907 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.673 ' H ' HD12 ' A' ' 9' ' ' ILE . 5.3 mp -52.63 -50.39 41.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.13 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -46.94 -53.35 12.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.1 179.842 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -67.14 -62.75 1.27 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.112 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.504 ' CZ ' ' CD1' ' A' ' 77' ' ' LEU . 22.2 m-85 -43.24 -36.73 1.88 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.898 -179.858 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -74.56 -47.36 33.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.874 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.426 ' OD1' ' C ' ' A' ' 14' ' ' ASN . 2.7 t30 -58.49 -42.36 87.43 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.898 -179.904 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 10.8 t -68.52 -176.77 0.82 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.881 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.448 ' HD3' ' N ' ' A' ' 16' ' ' LYS . 0.7 OUTLIER -146.08 171.78 14.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.879 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 74.5 t90 -39.93 152.6 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.927 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -157.84 137.0 8.17 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.632 0.73 . . . . 0.0 110.872 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 100.08 0.79 Allowed 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.723 2.282 . . . . 0.0 112.333 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 7.1 p -134.35 128.36 51.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.11 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 21.9 tptm -79.24 114.86 18.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.885 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . 0.511 ' CZ3' ' HB3' ' A' ' 28' ' ' CYS . 78.2 m95 -80.86 123.38 28.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.932 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 55.1 mm-40 -106.65 159.12 16.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.901 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 21.3 m120 -60.35 151.0 28.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.896 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 54.38 51.53 14.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.903 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 26.0 mmm -119.81 166.92 12.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.874 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 24.1 m170 -118.75 132.17 56.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.892 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.511 ' HB3' ' CZ3' ' A' ' 22' ' ' TRP . 26.7 p -151.26 165.68 33.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.853 -179.895 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -104.16 113.28 26.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.114 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.587 HG21 HG11 ' A' ' 65' ' ' VAL . 7.0 p -96.38 139.66 18.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.119 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.558 ' HB2' ' CH2' ' A' ' 38' ' ' TRP . 38.0 ttpt -98.8 133.02 43.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.886 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.541 HG22 ' H ' ' A' ' 35' ' ' LYS . 17.5 mt -79.97 145.8 8.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.154 179.862 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 12.3 pt20 -91.11 -39.44 12.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.873 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -75.55 -39.73 57.83 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.879 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.541 ' H ' HG22 ' A' ' 32' ' ' ILE . 12.5 mtmm -99.12 179.87 4.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.89 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -123.45 41.22 3.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.911 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 82.4 mt-30 -121.08 179.32 4.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.884 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . 0.558 ' CH2' ' HB2' ' A' ' 31' ' ' LYS . 57.1 m95 -124.93 117.4 23.98 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.941 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.407 ' O ' ' N ' ' A' ' 30' ' ' VAL . 97.1 mtt180 -114.75 163.89 14.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.861 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 1.2 mpp_? -106.4 151.74 24.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.88 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -141.65 159.47 26.84 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.45 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.476 ' O ' ' N ' ' A' ' 44' ' ' ILE . 40.8 tt0 -108.33 115.63 30.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.748 0.309 . . . . 0.0 110.895 -179.864 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 50.0 mm -45.5 91.01 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.106 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.714 HD11 ' HB2' ' A' ' 55' ' ' LEU . 22.3 mt -68.94 -63.97 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.12 179.853 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.4 ' O ' ' CG ' ' A' ' 45' ' ' ARG . 15.5 ptt180 -162.57 125.1 2.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.866 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 23.9 mtp -65.31 111.27 2.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.885 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.651 HG12 HG23 ' A' ' 48' ' ' THR . 48.2 t -74.23 -66.25 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.109 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.651 HG23 HG12 ' A' ' 47' ' ' VAL . 29.7 p -127.26 -178.51 4.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.112 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -71.48 -2.92 18.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.886 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.589 ' O ' HG22 ' A' ' 67' ' ' VAL . 46.1 p -128.23 -28.73 2.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.164 -179.883 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 62.0 mt -104.79 150.28 24.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.908 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.713 ' O ' HG23 ' A' ' 64' ' ' VAL . 34.7 t -148.9 134.86 12.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.114 179.838 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.437 ' O ' ' N ' ' A' ' 44' ' ' ILE . 10.5 tt0 -84.43 122.13 28.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.892 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 2.6 m -126.13 158.23 35.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.121 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.714 ' HB2' HD11 ' A' ' 44' ' ' ILE . 7.9 tp -115.59 122.16 44.81 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.889 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.532 HD12 ' HB ' ' A' ' 61' ' ' VAL . 35.3 mt -78.61 49.26 0.86 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.95 179.869 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.431 ' C ' ' O ' ' A' ' 56' ' ' LEU . 42.4 p90 -36.14 -34.94 0.06 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.901 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.406 ' N ' ' O ' ' A' ' 56' ' ' LEU . 4.4 p-10 -51.27 -49.54 61.02 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.865 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.497 HG23 ' N ' ' A' ' 60' ' ' GLY . 34.2 m -101.11 -44.78 11.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.176 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . 0.497 ' N ' HG23 ' A' ' 59' ' ' VAL . . . 113.47 52.55 0.48 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.512 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.532 ' HB ' HD12 ' A' ' 56' ' ' LEU . 44.9 t -139.85 126.37 22.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.782 0.325 . . . . 0.0 111.143 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 -89.02 119.82 29.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.894 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -150.08 176.27 10.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.9 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.713 HG23 ' O ' ' A' ' 52' ' ' VAL . 2.6 p -135.33 130.34 50.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.187 179.796 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.587 HG11 HG21 ' A' ' 30' ' ' VAL . 8.2 m -122.97 174.52 7.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.144 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 9.5 t30 -85.94 134.93 33.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.956 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.589 HG22 ' O ' ' A' ' 50' ' ' THR . 4.0 m -46.59 -32.25 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.09 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -58.84 -36.35 74.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.836 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 4.9 m -79.15 -30.62 43.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.903 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.531 HD12 ' HA ' ' A' ' 67' ' ' VAL . 96.3 mt -63.13 157.53 22.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.944 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.448 ' HG3' ' CH2' ' A' ' 38' ' ' TRP . 15.3 mmt85 -141.93 152.2 43.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.906 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 19.1 mtpp -77.04 123.55 26.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.867 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 4.9 tp -76.89 115.81 17.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.929 179.874 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 52.7 mt-10 -81.48 164.38 22.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.899 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 -72.52 -35.02 67.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.876 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 35.0 m-20 -64.79 -56.34 14.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.875 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.658 HD22 ' HA ' ' A' ' 8' ' ' MET . 61.0 mt . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.931 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . 0.474 ' CE ' ' HD2' ' A' ' 40' ' ' ARG . 3.6 mtp . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.74 0.305 . . . . 0.0 110.919 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.745 ' H ' HD12 ' A' ' 9' ' ' ILE . 5.3 mp -44.46 -45.28 2.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.131 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -52.81 -63.46 1.14 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.093 179.787 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -54.85 -57.18 12.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.084 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.523 ' HB3' ' CE2' ' A' ' 38' ' ' TRP . 30.7 m-85 -47.74 -61.12 2.1 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.9 -179.84 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -49.48 -44.63 46.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.946 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -59.63 -43.48 93.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.877 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.1 t -69.22 173.93 5.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.875 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.444 ' O ' ' NH2' ' A' ' 71' ' ' ARG . 52.5 mttm -129.29 172.47 11.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.911 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . 0.419 ' CG ' ' N ' ' A' ' 18' ' ' GLU . 78.8 t90 -54.92 169.58 0.22 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.953 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.419 ' N ' ' CG ' ' A' ' 17' ' ' TRP . 4.7 tp10 -165.91 131.67 1.96 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.616 0.722 . . . . 0.0 110.878 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 97.81 0.65 Allowed 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.712 2.275 . . . . 0.0 112.354 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 2.7 p -133.02 132.04 58.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.127 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 14.1 ttmm -75.24 108.43 8.0 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.909 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . 0.52 ' CZ3' ' HB3' ' A' ' 28' ' ' CYS . 69.1 m95 -70.66 116.58 11.15 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.929 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.683 ' O ' HG21 ' A' ' 43' ' ' ILE . 28.0 mt-10 -96.83 167.87 10.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.92 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.422 ' O ' ' C ' ' A' ' 25' ' ' ASP . 23.7 m120 -65.95 165.49 13.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.88 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.422 ' C ' ' O ' ' A' ' 24' ' ' ASN . 5.7 m-20 35.93 53.73 0.9 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.876 179.88 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 30.8 mmm -118.5 162.92 17.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.864 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.526 ' HB3' HD22 ' A' ' 73' ' ' LEU . 6.3 m170 -109.72 135.42 50.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.851 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.52 ' HB3' ' CZ3' ' A' ' 22' ' ' TRP . 25.8 p -159.45 161.06 35.42 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.887 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -110.53 123.08 49.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.1 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.582 HG21 HG11 ' A' ' 65' ' ' VAL . 2.5 p -98.28 131.87 44.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.119 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 34.0 ttpt -95.27 131.42 41.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.938 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 19.0 mt -79.44 144.62 10.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.148 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.427 ' HG2' ' N ' ' A' ' 34' ' ' ASP . 4.9 pm0 -94.33 -30.32 14.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.427 ' N ' ' HG2' ' A' ' 33' ' ' GLN . 56.1 m-20 -85.83 -2.26 58.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.861 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 26.5 mmmt -143.13 -179.47 6.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.944 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 27.7 m-80 -119.09 28.94 7.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.899 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.478 ' NE2' ' NH1' ' A' ' 39' ' ' ARG . 0.2 OUTLIER -114.77 136.29 53.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.92 -179.959 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . 0.523 ' CE2' ' HB3' ' A' ' 12' ' ' TYR . 16.3 m95 -87.53 119.25 27.63 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.886 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.478 ' NH1' ' NE2' ' A' ' 37' ' ' GLN . 21.0 mmt-85 -104.01 155.83 18.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.845 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.474 ' HD2' ' CE ' ' A' ' 8' ' ' MET . 2.0 mpp_? -101.93 152.36 21.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.879 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -151.97 154.34 25.48 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.483 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.46 ' O ' ' N ' ' A' ' 44' ' ' ILE . 56.2 tt0 -109.6 114.71 28.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.741 0.305 . . . . 0.0 110.917 -179.848 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.683 HG21 ' O ' ' A' ' 23' ' ' GLU . 49.8 mm -42.56 93.27 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.143 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.871 HD11 ' HB2' ' A' ' 55' ' ' LEU . 53.1 mt -72.1 -68.07 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.142 179.837 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 5.2 ptm180 -156.72 127.52 6.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.876 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.539 ' HG2' HG22 ' A' ' 52' ' ' VAL . 16.7 mtp -69.81 119.68 14.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.905 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.531 HG12 HG23 ' A' ' 48' ' ' THR . 43.5 t -84.68 -63.19 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.152 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.531 HG23 HG12 ' A' ' 47' ' ' VAL . 18.1 p -127.94 -176.13 3.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.153 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -74.94 -5.2 42.53 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.856 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.425 ' O ' HG22 ' A' ' 67' ' ' VAL . 42.7 p -125.36 -26.61 3.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.106 -179.85 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.431 ' O ' HG23 ' A' ' 52' ' ' VAL . 96.1 mt -104.87 155.69 18.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.903 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.806 ' O ' HG23 ' A' ' 64' ' ' VAL . 20.6 t -156.15 133.4 2.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.142 179.792 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -84.3 122.65 29.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.903 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 2.8 m -125.98 158.69 35.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.095 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.871 ' HB2' HD11 ' A' ' 44' ' ' ILE . 6.9 tp -117.24 120.13 37.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.917 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.667 HD12 ' HB ' ' A' ' 61' ' ' VAL . 24.4 mt -76.94 47.76 0.54 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.927 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.436 ' C ' ' O ' ' A' ' 56' ' ' LEU . 53.0 p90 -35.72 -35.26 0.06 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.931 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.407 ' N ' ' O ' ' A' ' 56' ' ' LEU . 1.1 t70 -51.36 -49.37 61.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.879 179.897 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.491 HG23 ' N ' ' A' ' 60' ' ' GLY . 34.5 m -99.79 -44.52 11.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.148 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . 0.491 ' N ' HG23 ' A' ' 59' ' ' VAL . . . 115.55 44.01 0.67 Allowed Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.478 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.667 ' HB ' HD12 ' A' ' 56' ' ' LEU . 41.1 t -133.09 124.64 50.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.834 0.35 . . . . 0.0 111.117 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -91.88 118.93 31.19 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.877 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -150.52 173.25 14.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.917 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.806 HG23 ' O ' ' A' ' 52' ' ' VAL . 4.1 p -129.08 128.99 67.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.126 179.842 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.582 HG11 HG21 ' A' ' 30' ' ' VAL . 6.3 m -122.03 171.85 10.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.092 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 11.6 t30 -81.8 136.6 35.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.857 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.425 HG22 ' O ' ' A' ' 50' ' ' THR . 24.9 m -50.51 -30.07 7.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.107 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 30.3 t0 -53.07 -39.16 63.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.868 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 21.7 m -84.78 -24.28 28.81 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.914 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.426 HD23 ' HA ' ' A' ' 70' ' ' LEU . 18.0 mt -63.79 133.1 52.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.884 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.444 ' NH2' ' O ' ' A' ' 16' ' ' LYS . 7.8 tpt85 -129.25 154.69 46.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.842 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 26.3 mtmm -71.67 141.81 49.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.892 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.526 HD22 ' HB3' ' A' ' 27' ' ' HIS . 2.5 tp -88.49 101.5 13.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.908 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 33.6 mm-40 -59.0 130.43 47.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.878 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -58.18 -29.34 65.56 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.927 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 62.1 t30 -66.31 -53.19 39.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.909 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 68.8 mt . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.955 179.912 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.9 mtp . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.741 0.305 . . . . 0.0 110.907 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.771 ' H ' HD12 ' A' ' 9' ' ' ILE . 4.8 mp -40.31 -52.11 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.11 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -51.27 -59.65 3.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.121 179.821 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -51.19 -59.88 3.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.097 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.495 ' O ' ' N ' ' A' ' 15' ' ' SER . 23.6 m-85 -52.57 -68.57 0.16 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.953 -179.835 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.424 ' C ' ' O ' ' A' ' 12' ' ' TYR . 1.9 tp10 -36.03 -52.86 0.77 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.907 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 9.2 t-20 -64.98 -36.59 84.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.874 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.495 ' N ' ' O ' ' A' ' 12' ' ' TYR . 3.9 p -54.64 166.68 0.43 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.876 -179.839 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.0 ptpt -126.3 148.05 49.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.909 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . 0.42 ' CH2' ' HA ' ' A' ' 19' ' ' PRO . 67.9 t90 -49.93 147.48 3.86 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.946 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -142.74 140.49 18.48 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.614 0.721 . . . . 0.0 110.902 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.42 ' HA ' ' CH2' ' A' ' 17' ' ' TRP . 53.8 Cg_endo -69.79 96.93 0.61 Allowed 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.64 2.227 . . . . 0.0 112.354 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.739 HG21 ' HD3' ' A' ' 72' ' ' LYS . 2.4 p -130.73 134.73 61.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.119 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 15.4 ttmt -83.36 105.09 14.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.87 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . 0.441 ' CZ2' ' HB3' ' A' ' 70' ' ' LEU . 58.0 m95 -67.37 132.39 47.57 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.962 179.874 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -116.0 156.4 26.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.895 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 14.9 t-20 -59.44 148.45 32.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.872 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 17.1 t70 59.5 52.18 5.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.866 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 19.6 mmm -126.46 165.96 18.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.912 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 19.1 m170 -120.64 142.67 49.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.864 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.413 ' HB3' ' CH2' ' A' ' 22' ' ' TRP . 1.8 p -160.53 159.13 30.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.923 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.415 ' CB ' ' CZ ' ' A' ' 12' ' ' TYR . . . -94.95 129.74 41.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.135 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.893 HG21 HG11 ' A' ' 65' ' ' VAL . 7.3 p -117.58 145.29 23.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.172 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.566 ' HB2' ' CZ2' ' A' ' 38' ' ' TRP . 25.7 ttpt -105.05 117.62 34.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.88 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.63 HG22 ' H ' ' A' ' 35' ' ' LYS . 48.4 mt -74.66 141.42 16.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.121 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -80.25 -54.41 5.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.891 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -56.74 -37.84 71.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.847 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.63 ' H ' HG22 ' A' ' 32' ' ' ILE . 6.7 mmpt? -104.84 171.1 7.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.889 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 4.9 m120 -118.07 39.16 3.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.877 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -121.35 -176.18 3.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.904 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . 0.566 ' CZ2' ' HB2' ' A' ' 31' ' ' LYS . 43.2 m95 -136.07 125.77 25.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.903 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.647 ' O ' HG12 ' A' ' 30' ' ' VAL . 5.4 ptp180 -134.15 130.59 37.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.878 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -74.53 153.2 39.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.86 -179.886 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -135.2 178.04 18.89 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.477 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.46 ' O ' ' N ' ' A' ' 44' ' ' ILE . 42.7 tt0 -115.92 115.49 26.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.794 0.331 . . . . 0.0 110.87 -179.865 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 35.3 mm -49.96 89.42 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.139 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.927 HD11 ' HB2' ' A' ' 55' ' ' LEU . 57.3 mt -65.61 -68.96 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.125 179.867 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 4.4 ptm180 -154.83 124.79 6.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.872 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.636 ' HG2' HG22 ' A' ' 52' ' ' VAL . 17.0 mtp -67.6 117.69 9.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.883 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.606 HG12 HG23 ' A' ' 48' ' ' THR . 34.7 t -78.73 -62.34 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.161 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.606 HG23 HG12 ' A' ' 47' ' ' VAL . 37.8 p -134.03 -175.37 3.82 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.17 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -72.09 -9.53 58.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.885 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 25.1 p -125.63 -7.31 6.83 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.137 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 55.6 mt -122.74 151.28 41.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.878 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.773 ' O ' HG23 ' A' ' 64' ' ' VAL . 56.7 t -155.32 130.63 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.1 179.803 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 13.7 tt0 -84.44 120.77 26.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.903 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 3.5 m -122.33 160.49 24.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.172 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.927 ' HB2' HD11 ' A' ' 44' ' ' ILE . 7.9 tp -119.8 120.3 36.1 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.913 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.474 ' HB3' HG22 ' A' ' 59' ' ' VAL . 41.9 mt -76.92 47.75 0.54 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.898 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.422 ' C ' ' O ' ' A' ' 56' ' ' LEU . 30.7 p90 -35.69 -34.68 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.927 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.424 ' N ' ' O ' ' A' ' 56' ' ' LEU . 4.9 t0 -52.53 -49.85 64.03 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.867 179.879 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.492 HG23 ' N ' ' A' ' 60' ' ' GLY . 34.3 m -97.8 -44.14 12.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.146 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . 0.492 ' N ' HG23 ' A' ' 59' ' ' VAL . . . 113.73 47.42 0.62 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.479 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 42.8 t -137.1 126.5 36.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.751 0.31 . . . . 0.0 111.133 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -91.18 119.31 31.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.881 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -150.91 174.57 12.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.943 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.773 HG23 ' O ' ' A' ' 52' ' ' VAL . 3.6 p -130.98 124.32 55.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.094 179.892 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.893 HG11 HG21 ' A' ' 30' ' ' VAL . 8.3 m -112.6 169.93 4.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.108 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 3.6 t30 -83.92 134.75 34.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.876 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 19.4 m -46.84 -20.35 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.178 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -64.22 -38.9 92.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.912 179.874 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 13.1 m -82.42 -24.94 34.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.856 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.441 ' HB3' ' CZ2' ' A' ' 22' ' ' TRP . 43.4 mt -64.25 137.02 57.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.891 -179.903 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 17.3 mmt85 -136.09 152.63 51.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.907 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.739 ' HD3' HG21 ' A' ' 20' ' ' VAL . 5.4 mmmm -71.35 119.56 15.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.903 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 5.8 tp -62.8 94.39 0.07 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.889 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -53.65 163.91 0.61 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.857 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -78.44 -49.89 12.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.854 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 12.3 m-20 -55.59 -52.53 63.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.886 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 69.7 mt . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.882 179.986 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 7.4 mtp . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.751 0.31 . . . . 0.0 110.891 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.749 ' H ' HD12 ' A' ' 9' ' ' ILE . 5.3 mp -48.16 -48.66 12.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.163 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.26 -56.54 18.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.129 179.816 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -56.2 -58.35 8.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.075 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 46.8 m-85 -53.38 -39.5 64.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.914 -179.855 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.669 ' OE2' HG22 ' A' ' 9' ' ' ILE . 20.6 mt-10 -67.47 -41.24 84.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.857 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 39.7 t30 -63.78 -45.34 90.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.899 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 11.1 t -59.65 177.81 0.19 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 26.2 mtpt -129.51 -176.08 3.78 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.924 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 75.2 t90 -68.82 159.1 33.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.924 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.423 ' CD ' ' HD2' ' A' ' 19' ' ' PRO . 6.1 tp10 -164.7 137.83 3.87 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.617 0.722 . . . . 0.0 110.919 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.423 ' HD2' ' CD ' ' A' ' 18' ' ' GLU . 53.7 Cg_endo -69.76 98.3 0.68 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.66 2.24 . . . . 0.0 112.351 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.716 HG11 ' HD2' ' A' ' 72' ' ' LYS . 2.8 p -129.61 107.85 15.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.147 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 15.5 ttmt -60.44 113.47 2.43 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.876 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . 0.484 ' HB3' HD12 ' A' ' 43' ' ' ILE . 83.1 m95 -77.25 114.88 16.54 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.885 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.529 ' O ' HG21 ' A' ' 43' ' ' ILE . 54.9 mt-10 -89.32 159.21 17.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.865 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -66.81 149.62 50.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.892 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 59.27 50.21 8.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.851 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 13.5 mmm -120.92 167.74 12.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.851 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 67.6 m170 -118.0 132.8 56.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.822 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 4.2 p -152.55 170.28 20.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.931 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -110.92 113.9 26.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.089 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.784 HG21 HG11 ' A' ' 65' ' ' VAL . 1.3 p -90.4 142.32 13.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.148 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.574 ' HB2' ' CH2' ' A' ' 38' ' ' TRP . 24.2 tttp -97.07 126.01 41.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.94 179.895 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.437 HD12 ' O ' ' A' ' 37' ' ' GLN . 11.2 mt -78.52 143.98 11.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.157 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 5.9 mm-40 -75.19 -75.23 0.18 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.919 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -60.53 -40.98 93.46 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.853 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.431 ' CB ' HG21 ' A' ' 32' ' ' ILE . 0.8 OUTLIER -83.98 150.36 25.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.906 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 48.8 m-20 -109.04 35.75 3.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.854 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.437 ' O ' HD12 ' A' ' 32' ' ' ILE . 5.1 tt0 -122.2 133.4 54.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.926 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . 0.574 ' CH2' ' HB2' ' A' ' 31' ' ' LYS . 66.5 m95 -83.5 121.95 27.89 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.894 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.476 ' CZ ' ' HA ' ' A' ' 39' ' ' ARG . 1.0 OUTLIER -108.97 -176.34 3.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.841 -179.964 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 42.4 mtt180 -120.0 144.81 47.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.863 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -140.36 153.55 23.56 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.527 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.463 ' HB2' ' CD1' ' A' ' 57' ' ' TYR . 48.4 tt0 -106.74 115.94 31.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.77 0.319 . . . . 0.0 110.911 -179.866 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.529 HG21 ' O ' ' A' ' 23' ' ' GLU . 48.3 mm -47.77 91.53 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.13 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.833 HD11 ' HB2' ' A' ' 55' ' ' LEU . 51.5 mt -70.17 -67.35 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.108 179.859 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 7.6 ptm180 -159.81 125.23 4.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.862 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.564 ' HG2' HG22 ' A' ' 52' ' ' VAL . 37.8 mtp -67.35 118.68 11.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.869 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.558 HG12 HG23 ' A' ' 48' ' ' THR . 47.3 t -81.85 -70.15 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.156 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.558 HG23 HG12 ' A' ' 47' ' ' VAL . 59.1 p -117.4 -179.45 3.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.175 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -71.33 -8.4 53.45 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.902 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 38.6 p -125.98 -12.06 6.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.12 -179.872 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.416 HD23 ' OD1' ' A' ' 66' ' ' ASN . 24.0 mt -116.33 154.61 29.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.867 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.769 ' O ' HG23 ' A' ' 64' ' ' VAL . 30.7 t -155.69 133.7 2.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.099 179.845 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -84.29 123.44 30.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.922 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 2.7 m -127.93 159.84 38.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.116 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.833 ' HB2' HD11 ' A' ' 44' ' ' ILE . 9.9 tp -119.06 121.64 40.29 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.932 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.616 HD12 ' HB ' ' A' ' 61' ' ' VAL . 28.8 mt -76.21 48.64 0.52 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.939 179.853 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.463 ' CD1' ' HB2' ' A' ' 42' ' ' GLN . 38.3 p90 -37.02 -29.09 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.919 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.488 ' N ' ' O ' ' A' ' 56' ' ' LEU . 6.9 t70 -57.77 -49.93 74.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.85 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.452 HG23 ' N ' ' A' ' 60' ' ' GLY . 34.2 m -99.44 -42.11 10.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.131 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . 0.452 ' N ' HG23 ' A' ' 59' ' ' VAL . . . 111.86 48.87 0.65 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.471 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.616 ' HB ' HD12 ' A' ' 56' ' ' LEU . 40.3 t -136.67 124.83 34.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.798 0.333 . . . . 0.0 111.141 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -88.78 120.46 30.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.889 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -153.24 175.77 12.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.897 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.769 HG23 ' O ' ' A' ' 52' ' ' VAL . 2.7 p -133.98 124.59 47.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.126 179.834 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.784 HG11 HG21 ' A' ' 30' ' ' VAL . 4.0 m -114.4 177.31 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.109 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . 0.416 ' OD1' HD23 ' A' ' 51' ' ' LEU . 4.5 t30 -89.88 138.96 31.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.844 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 15.3 m -52.81 -25.72 9.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.112 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -63.13 -27.96 69.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.878 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 17.5 m -97.66 -5.81 34.55 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.887 -179.882 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 22.1 mt -81.13 138.71 35.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.977 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.468 ' HG3' ' CZ3' ' A' ' 38' ' ' TRP . 4.2 mmp_? -124.75 156.29 37.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.873 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.716 ' HD2' HG11 ' A' ' 20' ' ' VAL . 0.0 OUTLIER -88.05 121.92 31.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.894 179.968 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 1.5 tp -73.22 117.98 15.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.912 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -76.81 172.03 13.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.857 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 15.6 tt0 -80.8 -40.35 25.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.9 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -69.1 -55.02 11.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.906 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 32.7 mt . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.913 179.988 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . 0.708 ' HA ' HD13 ' A' ' 77' ' ' LEU . 2.1 mtp . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.749 0.309 . . . . 0.0 110.894 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.759 ' H ' HD12 ' A' ' 9' ' ' ILE . 4.5 mp -45.22 -48.41 3.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.116 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -50.28 -63.03 1.24 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.099 179.817 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.687 ' HB3' HD11 ' A' ' 77' ' ' LEU . . . -53.22 -60.21 3.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.069 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 30.4 m-85 -45.38 -42.14 9.83 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.927 -179.85 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 10.3 tm-20 -62.9 -54.81 32.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.875 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 14.6 t-20 -55.41 -48.86 73.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.891 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 5.8 t -58.83 120.99 10.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.869 -179.835 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 11.0 ptpt -79.24 145.83 33.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.903 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . 0.462 ' CD1' ' HA ' ' A' ' 68' ' ' ASP . 85.1 t90 -46.75 158.98 0.11 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.932 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -152.33 140.48 13.43 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.601 0.715 . . . . 0.0 110.912 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 100.23 0.81 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.689 2.259 . . . . 0.0 112.315 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 2.1 p -133.44 127.48 53.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.144 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 19.0 tptt -76.06 110.94 10.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.88 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . 0.492 ' CZ3' ' HB3' ' A' ' 28' ' ' CYS . 95.6 m95 -72.71 139.64 47.34 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.917 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -117.95 151.72 36.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.913 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 7.3 t-20 -59.06 147.73 33.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.91 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 26.7 t70 63.27 49.33 3.31 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.814 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 31.7 mtp -125.32 166.81 15.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.875 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 14.2 m170 -119.0 147.3 44.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.865 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.492 ' HB3' ' CZ3' ' A' ' 22' ' ' TRP . 24.0 p -170.63 175.47 4.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.884 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -112.88 152.26 29.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.107 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.876 HG21 HG11 ' A' ' 65' ' ' VAL . 4.9 p -135.86 156.77 37.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.135 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.565 ' HB2' ' CZ2' ' A' ' 38' ' ' TRP . 23.2 ttpt -103.8 121.42 43.0 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.895 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.588 HG22 ' H ' ' A' ' 35' ' ' LYS . 45.6 mt -70.69 138.8 21.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.143 179.863 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 30.0 mm-40 -74.66 -64.1 1.11 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.94 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -57.64 -40.41 79.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.858 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.588 ' H ' HG22 ' A' ' 32' ' ' ILE . 8.0 mmmm -96.11 175.08 6.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.872 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 5.3 m-80 -119.9 29.56 7.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.907 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 43.9 mt-30 -109.99 -179.19 3.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.891 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . 0.565 ' CZ2' ' HB2' ' A' ' 31' ' ' LYS . 16.5 m95 -129.51 110.01 11.51 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.906 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.433 ' O ' HG12 ' A' ' 30' ' ' VAL . 74.4 mtt180 -103.84 155.28 18.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.899 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 79.5 mtm180 -92.02 159.1 15.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -151.46 161.11 29.05 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.517 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.428 ' O ' ' N ' ' A' ' 44' ' ' ILE . 40.1 tt0 -109.38 116.88 32.67 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.756 0.312 . . . . 0.0 110.927 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 44.1 mm -45.04 93.76 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.138 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.843 HD11 ' HB2' ' A' ' 55' ' ' LEU . 47.1 mt -71.49 -65.09 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.136 179.858 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 4.5 ptm180 -161.53 126.44 3.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.837 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.749 ' HG2' HG22 ' A' ' 52' ' ' VAL . 35.8 mtp -68.99 125.17 25.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.913 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.655 HG12 HG23 ' A' ' 48' ' ' THR . 61.2 t -90.52 -64.64 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.142 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.655 HG23 HG12 ' A' ' 47' ' ' VAL . 39.0 p -126.57 179.21 5.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.131 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.502 ' OD1' HG23 ' A' ' 50' ' ' THR . 0.7 OUTLIER -70.99 -9.35 57.85 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.901 179.917 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.502 HG23 ' OD1' ' A' ' 49' ' ' ASP . 17.6 p -126.15 -0.38 7.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.124 -179.863 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.495 ' O ' HG23 ' A' ' 52' ' ' VAL . 28.0 mt -130.56 154.77 47.49 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.875 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.749 HG22 ' HG2' ' A' ' 46' ' ' MET . 38.3 t -158.09 134.65 2.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.148 179.801 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 15.1 tt0 -86.02 125.92 33.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.92 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 3.2 m -127.59 165.35 26.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.131 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.843 ' HB2' HD11 ' A' ' 44' ' ' ILE . 4.6 tp -121.04 120.41 35.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.889 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.49 ' O ' ' N ' ' A' ' 58' ' ' ASP . 19.0 mt -75.72 48.91 0.49 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.965 179.868 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.456 ' C ' ' O ' ' A' ' 56' ' ' LEU . 30.9 p90 -33.89 -34.19 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.908 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.49 ' N ' ' O ' ' A' ' 56' ' ' LEU . 5.9 p-10 -50.32 -51.12 48.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.86 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 34.2 m -100.92 -38.08 5.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.129 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 111.91 38.82 1.36 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.523 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 43.2 t -130.64 125.64 59.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.755 0.312 . . . . 0.0 111.121 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.785 ' HG3' HD13 ' A' ' 55' ' ' LEU . 3.7 mp0 -93.05 117.55 30.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.897 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.457 HD22 ' HG ' ' A' ' 56' ' ' LEU . 1.0 OUTLIER -139.49 174.25 10.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.861 -179.924 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -125.44 123.63 65.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.126 179.839 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.876 HG11 HG21 ' A' ' 30' ' ' VAL . 13.1 m -117.99 165.88 12.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.109 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 4.1 t30 -79.7 133.52 36.36 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.926 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.42 ' HA ' HD12 ' A' ' 70' ' ' LEU . 16.1 m -50.91 -23.0 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.091 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.462 ' HA ' ' CD1' ' A' ' 17' ' ' TRP . 6.0 t70 -62.93 -34.08 76.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.904 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 4.6 m -85.6 -27.7 25.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.873 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.42 HD12 ' HA ' ' A' ' 67' ' ' VAL . 41.6 mt -57.75 144.73 37.18 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.888 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.563 ' HG3' ' CH2' ' A' ' 38' ' ' TRP . 5.5 mmm180 -140.34 138.28 34.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.876 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 8.6 mmtt -60.77 134.36 57.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.908 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 8.2 tp -75.14 104.46 5.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.901 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 26.4 mm-40 -83.61 138.02 33.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.915 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -51.53 -40.64 60.05 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.87 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 5.3 t-20 -47.88 -50.18 27.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.906 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.708 HD13 ' HA ' ' A' ' 8' ' ' MET . 11.5 mt . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.937 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 3.7 mtp . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.717 0.294 . . . . 0.0 110.88 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.717 ' H ' HD12 ' A' ' 9' ' ' ILE . 5.2 mp -44.19 -48.25 2.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.185 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -50.69 -57.21 8.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.111 179.811 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.82 ' HB3' HD11 ' A' ' 77' ' ' LEU . . . -56.81 -59.69 4.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.1 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.534 ' CE1' ' OE2' ' A' ' 74' ' ' GLU . 44.0 m-85 -46.37 -51.72 14.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.914 -179.854 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.9 tm-20 -56.72 -50.21 72.87 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.89 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 38.6 m-20 -56.99 -41.67 78.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.938 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 6.4 t -65.71 151.07 47.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.849 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 58.1 mtmt -113.48 146.75 39.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.943 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 43.5 t90 -45.35 146.59 0.94 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.927 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -146.36 146.76 28.72 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-O 121.663 0.744 . . . . 0.0 110.851 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 95.85 0.57 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.661 2.24 . . . . 0.0 112.305 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.407 HG13 ' O ' ' A' ' 20' ' ' VAL . 5.1 p -132.17 120.6 44.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.121 179.878 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 25.3 ttmt -67.29 118.84 11.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.879 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 66.2 m95 -80.92 121.33 25.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.925 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 67.6 mt-10 -102.96 159.18 15.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.881 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 7.1 m120 -64.88 149.76 48.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.883 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 22.3 t0 59.55 52.86 5.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.846 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 32.2 mtp -127.06 161.8 27.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.871 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.525 ' HB3' HD22 ' A' ' 73' ' ' LEU . 60.3 m170 -107.29 145.67 32.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.835 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.531 ' SG ' HD22 ' A' ' 70' ' ' LEU . 24.6 p -166.79 160.69 14.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.945 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -107.76 119.78 40.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.137 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.825 HG21 HG11 ' A' ' 65' ' ' VAL . 2.1 p -102.86 146.93 10.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.124 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.564 ' HB3' ' CH2' ' A' ' 38' ' ' TRP . 7.4 pttt -102.92 138.08 40.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.861 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 13.7 mt -86.24 144.31 9.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.136 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 9.2 pt20 -83.93 -43.89 14.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.9 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -73.48 -38.24 65.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.879 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 23.7 mmtt -104.42 171.02 7.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.898 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 1.4 p-10 -114.44 23.19 13.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.88 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 54.9 mt-30 -109.33 128.2 54.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.925 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . 0.564 ' CH2' ' HB3' ' A' ' 31' ' ' LYS . 36.5 m95 -79.28 121.07 24.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.888 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 7.1 mmt85 -109.02 160.65 15.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.876 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 52.1 mtm180 -93.96 156.46 16.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.929 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -152.49 152.04 23.79 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.5 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.474 ' O ' ' N ' ' A' ' 44' ' ' ILE . 34.8 tt0 -110.47 118.82 37.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.749 0.309 . . . . 0.0 110.93 -179.873 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 35.5 mm -45.5 91.19 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.175 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.921 HD11 ' HB2' ' A' ' 55' ' ' LEU . 46.4 mt -72.0 -65.64 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.139 179.845 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.445 ' O ' ' CG ' ' A' ' 45' ' ' ARG . 6.0 ptm180 -156.85 121.27 4.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.852 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.558 ' HG2' HG22 ' A' ' 52' ' ' VAL . 23.5 mtp -67.44 110.54 3.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.926 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.628 HG12 HG23 ' A' ' 48' ' ' THR . 47.5 t -74.91 -68.28 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.155 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.628 HG23 HG12 ' A' ' 47' ' ' VAL . 14.5 p -125.18 173.92 8.43 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.135 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 32.3 m-20 -64.77 -9.14 18.18 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.912 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.401 ' O ' HG22 ' A' ' 67' ' ' VAL . 9.4 p -121.12 -24.32 5.57 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.128 -179.912 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 91.9 mt -109.34 151.88 26.01 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.937 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.802 ' C ' HG23 ' A' ' 64' ' ' VAL . 53.4 t -153.92 132.89 3.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.156 179.833 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 -84.31 124.34 31.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.875 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 2.4 m -127.43 160.13 36.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.136 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.921 ' HB2' HD11 ' A' ' 44' ' ' ILE . 8.0 tp -116.29 120.25 38.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.919 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.638 HD12 ' HB ' ' A' ' 61' ' ' VAL . 33.1 mt -76.04 48.54 0.5 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.977 179.853 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.45 ' C ' ' O ' ' A' ' 56' ' ' LEU . 43.5 p90 -34.61 -36.0 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.88 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.426 ' N ' ' O ' ' A' ' 56' ' ' LEU . 29.5 t70 -51.59 -52.24 49.03 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.897 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.498 HG23 ' N ' ' A' ' 60' ' ' GLY . 33.9 m -96.58 -44.78 12.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.156 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . 0.498 ' N ' HG23 ' A' ' 59' ' ' VAL . . . 114.4 46.62 0.62 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.485 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.638 ' HB ' HD12 ' A' ' 56' ' ' LEU . 41.1 t -135.27 127.66 47.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.815 0.34 . . . . 0.0 111.099 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -92.45 119.08 31.61 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.871 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.421 ' O ' HD23 ' A' ' 63' ' ' LEU . 0.7 OUTLIER -151.24 170.95 18.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.943 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.802 HG23 ' C ' ' A' ' 52' ' ' VAL . 3.8 p -124.82 128.86 73.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.162 179.819 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.825 HG11 HG21 ' A' ' 30' ' ' VAL . 17.4 m -121.66 167.9 14.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.161 179.905 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 5.6 t30 -79.39 135.76 36.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.863 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.401 HG22 ' O ' ' A' ' 50' ' ' THR . 5.5 m -44.84 -30.59 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.086 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -55.02 -40.37 70.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.871 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 69.3 m -78.15 -34.39 49.79 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.871 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.531 HD22 ' SG ' ' A' ' 28' ' ' CYS . 78.1 mt -59.37 141.48 54.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.893 -179.878 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.468 ' HA ' ' CZ ' ' A' ' 71' ' ' ARG . 1.4 mmp_? -141.67 144.01 33.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.841 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 33.5 mtpt -64.12 122.12 15.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.924 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.525 HD22 ' HB3' ' A' ' 27' ' ' HIS . 6.6 tp -70.48 97.45 1.3 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.88 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 1.011 ' CD ' HD12 ' A' ' 77' ' ' LEU . 1.2 pm0 -64.94 138.03 58.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.916 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -65.22 -25.57 67.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.907 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -62.25 -55.77 25.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.877 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 1.011 HD12 ' CD ' ' A' ' 74' ' ' GLU . 78.4 mt . . . . . 0 C--N 1.328 -0.366 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.908 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.25 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.4 m 51.94 41.76 29.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.9 0.381 . . . . 0.0 110.878 -179.727 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 49.8 m -103.32 113.96 27.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.832 -179.768 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -179.75 99.85 0.13 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.48 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.7 t -123.92 91.24 3.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.887 0.375 . . . . 0.0 110.859 -179.752 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 34.0 p -86.06 104.08 15.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.882 -179.829 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -109.38 -51.37 0.67 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.44 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 2.8 mtp -58.19 -75.35 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.751 0.31 . . . . 0.0 110.917 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.794 ' H ' HD12 ' A' ' 9' ' ' ILE . 4.9 mp -49.85 -42.95 19.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.13 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -56.2 -62.89 1.4 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.118 179.78 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -55.41 -56.17 23.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.088 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.551 ' CE2' HD13 ' A' ' 77' ' ' LEU . 40.9 m-85 -52.13 -64.0 0.96 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.974 -179.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -43.6 -59.53 2.15 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.879 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 17.4 m-20 -53.2 -43.51 67.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.881 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.418 ' C ' ' HD2' ' A' ' 16' ' ' LYS . 1.9 m -67.7 169.31 9.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.843 -179.834 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.418 ' HD2' ' C ' ' A' ' 15' ' ' SER . 0.1 OUTLIER -127.31 149.51 50.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.884 179.937 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . 0.515 ' CH2' ' HA ' ' A' ' 19' ' ' PRO . 73.1 t90 -42.31 151.33 0.11 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.906 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -139.93 143.89 36.24 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.642 0.734 . . . . 0.0 110.921 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.515 ' HA ' ' CH2' ' A' ' 17' ' ' TRP . 54.0 Cg_endo -69.72 101.27 0.89 Allowed 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.677 2.251 . . . . 0.0 112.368 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.428 HG21 ' HD3' ' A' ' 72' ' ' LYS . 2.6 p -138.68 140.46 39.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.087 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 20.9 ttmt -81.85 120.03 24.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.908 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . 0.422 ' CZ3' ' HB3' ' A' ' 28' ' ' CYS . 87.9 m95 -85.32 124.76 32.31 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.882 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.479 ' O ' HG21 ' A' ' 43' ' ' ILE . 5.6 mm-40 -107.45 161.86 14.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.938 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 5.6 t-20 -66.58 147.85 52.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.86 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 35.0 t70 60.71 52.4 4.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.868 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 30.8 mtp -126.23 161.44 27.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.883 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.415 ' HB3' HD22 ' A' ' 73' ' ' LEU . 5.6 m170 -110.65 143.5 41.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.849 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.422 ' HB3' ' CZ3' ' A' ' 22' ' ' TRP . 27.9 p -163.19 175.69 10.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.872 -179.9 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -122.07 126.19 47.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.092 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.763 HG21 HG11 ' A' ' 65' ' ' VAL . 1.2 p -99.36 146.43 8.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.149 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.568 ' HB2' ' CH2' ' A' ' 38' ' ' TRP . 60.2 tttt -103.29 117.95 35.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.877 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 23.9 mt -77.25 151.54 5.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.094 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 49.9 mt-30 -89.85 -71.16 0.63 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.897 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -49.55 -28.72 5.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.896 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 53.0 mmtt -111.64 170.16 8.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.973 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -121.14 33.34 5.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.911 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 10.7 tm0? -116.69 134.86 54.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.912 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . 0.568 ' CH2' ' HB2' ' A' ' 31' ' ' LYS . 59.0 m95 -88.04 115.13 25.29 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.945 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 85.6 mtt180 -103.51 151.27 23.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.859 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.555 ' CZ ' HD11 ' A' ' 73' ' ' LEU . 46.6 mtt180 -92.49 140.2 29.81 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.883 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -134.28 162.8 24.61 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.486 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.402 ' O ' ' N ' ' A' ' 44' ' ' ILE . 31.4 tt0 -115.89 117.96 31.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.819 0.342 . . . . 0.0 110.914 -179.865 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.479 HG21 ' O ' ' A' ' 23' ' ' GLU . 51.2 mm -47.52 94.11 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.162 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.835 HD11 ' HB2' ' A' ' 55' ' ' LEU . 38.6 mt -72.71 -65.77 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.099 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 19.9 ptt180 -159.37 128.08 5.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.837 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.515 ' HG2' HG22 ' A' ' 52' ' ' VAL . 18.1 mtp -68.7 120.55 14.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.889 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.509 HG12 HG23 ' A' ' 48' ' ' THR . 40.5 t -84.63 -61.11 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.149 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.509 HG23 HG12 ' A' ' 47' ' ' VAL . 5.3 p -133.89 -177.75 4.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.129 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -69.88 -2.86 13.52 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.863 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.496 ' O ' HG22 ' A' ' 67' ' ' VAL . 13.5 p -129.92 -31.04 1.97 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.198 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.461 HD23 ' OD1' ' A' ' 66' ' ' ASN . 84.9 mt -96.85 151.79 19.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.902 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.777 ' O ' HG23 ' A' ' 64' ' ' VAL . 20.3 t -153.74 130.86 2.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.153 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 13.3 tt0 -84.22 123.85 30.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.903 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 2.7 m -128.99 163.15 34.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.117 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.835 ' HB2' HD11 ' A' ' 44' ' ' ILE . 6.4 tp -120.5 126.5 50.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.925 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.535 ' N ' HD12 ' A' ' 55' ' ' LEU . 35.5 mt -81.94 48.88 1.28 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.893 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.432 ' C ' ' O ' ' A' ' 56' ' ' LEU . 37.2 p90 -36.04 -33.91 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.94 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.434 ' N ' ' O ' ' A' ' 56' ' ' LEU . 10.1 t0 -52.82 -49.26 66.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.871 179.868 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.495 HG23 ' N ' ' A' ' 60' ' ' GLY . 34.1 m -100.2 -44.41 11.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.09 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.495 ' N ' HG23 ' A' ' 59' ' ' VAL . . . 113.97 46.82 0.64 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.488 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 38.9 t -134.41 126.11 48.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.775 0.322 . . . . 0.0 111.167 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -90.59 119.99 31.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.941 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -152.11 176.18 11.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.913 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.777 HG23 ' O ' ' A' ' 52' ' ' VAL . 3.1 p -132.84 124.94 51.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.118 179.838 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.763 HG11 HG21 ' A' ' 30' ' ' VAL . 7.2 m -114.02 176.66 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.122 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . 0.461 ' OD1' HD23 ' A' ' 51' ' ' LEU . 21.5 t30 -91.43 141.05 29.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.858 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.496 HG22 ' O ' ' A' ' 50' ' ' THR . 27.8 m -57.01 -19.35 9.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.125 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.412 ' OD1' ' ND2' ' A' ' 66' ' ' ASN . 3.1 m-20 -66.55 -27.84 68.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.885 179.882 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 4.9 m -98.19 -17.03 19.23 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.897 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 25.8 mt -69.94 151.34 45.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.914 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 22.0 mmm180 -145.78 145.1 30.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.879 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.428 ' HD3' HG21 ' A' ' 20' ' ' VAL . 17.2 mmmt -69.01 135.5 50.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.907 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.555 HD11 ' CZ ' ' A' ' 40' ' ' ARG . 8.0 tp -73.46 99.08 2.9 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.875 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 37.5 mm-40 -65.09 136.47 56.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.914 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -54.69 -52.05 63.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.866 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -44.5 -52.52 7.86 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.89 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.551 HD13 ' CE2' ' A' ' 12' ' ' TYR . 74.5 mt -56.57 -37.12 70.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.917 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 8.7 ttmm -60.47 -42.94 97.27 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.913 179.829 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 39.7 p -117.84 78.9 1.29 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.132 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . 0.41 ' HE1' HD23 ' A' ' 77' ' ' LEU . 24.2 tpp -91.04 119.97 31.64 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.889 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 103.22 -110.9 3.81 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.521 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 55.3 mtp180 -78.84 115.57 18.61 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.857 0.36 . . . . 0.0 110.887 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.822 HD23 ' H ' ' A' ' 83' ' ' LEU . 0.9 OUTLIER -93.07 128.6 39.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.93 -179.967 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 87.2 p -167.8 116.54 0.77 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.888 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 4.3 mm? . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.897 -179.991 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 92.6 p -146.19 159.64 43.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.895 0.378 . . . . 0.0 110.857 -179.729 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.6 m -58.37 125.31 22.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.877 -179.814 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 156.83 107.15 0.25 Allowed Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.484 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 38.1 m -43.18 108.52 0.11 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.905 0.384 . . . . 0.0 110.849 -179.723 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.4 m -156.03 113.57 3.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.852 -179.81 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -110.56 -63.42 0.51 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.507 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 2.7 mtp -51.86 -75.39 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.785 0.326 . . . . 0.0 110.919 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.784 ' H ' HD12 ' A' ' 9' ' ' ILE . 4.9 mp -46.6 -45.18 6.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.169 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -52.39 -61.03 2.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.143 179.77 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -59.82 -63.45 1.3 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.076 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 32.4 m-85 -41.99 -48.92 4.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.985 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -61.0 -47.18 87.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.908 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -57.43 -40.84 79.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.922 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 6.4 t -66.09 174.24 2.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.877 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.452 ' N ' ' HD2' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -136.96 152.06 49.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.909 179.925 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . 0.513 ' CD1' ' HA ' ' A' ' 68' ' ' ASP . 67.9 t90 -38.4 150.16 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.921 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -147.73 143.89 18.47 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.652 0.739 . . . . 0.0 110.884 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 99.56 0.75 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.701 2.268 . . . . 0.0 112.327 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.415 HG21 ' HD2' ' A' ' 72' ' ' LYS . 6.9 p -136.11 138.44 47.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.145 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 21.2 ttmm -81.17 110.94 17.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.908 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . 0.536 ' CZ3' ' HB3' ' A' ' 28' ' ' CYS . 74.0 m95 -77.62 113.42 15.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.879 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 80.4 mt-10 -99.77 161.19 13.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.858 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 -65.49 148.87 50.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.898 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 6.4 t70 58.12 50.26 10.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.903 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 23.8 mmm -117.91 171.84 7.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.892 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.431 ' HB3' HD22 ' A' ' 73' ' ' LEU . 7.1 m170 -116.17 135.94 53.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.83 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.536 ' HB3' ' CZ3' ' A' ' 22' ' ' TRP . 25.9 p -158.72 162.83 37.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.865 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -113.39 115.15 27.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.101 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.88 HG21 HG11 ' A' ' 65' ' ' VAL . 8.7 p -90.17 155.31 3.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.125 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.553 ' HB2' ' CH2' ' A' ' 38' ' ' TRP . 7.7 ttpm? -113.87 123.69 50.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.863 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.828 HD12 ' CG ' ' A' ' 37' ' ' GLN . 69.2 mt -72.25 140.33 18.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.142 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 4.4 mm100 -79.81 -50.45 10.51 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.877 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -61.11 -51.05 70.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.873 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.55 ' H ' HG22 ' A' ' 32' ' ' ILE . 4.1 mptp? -95.05 179.11 5.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.901 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 20.5 t-20 -118.69 39.35 3.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.889 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.828 ' CG ' HD12 ' A' ' 32' ' ' ILE . 10.2 pt20 -113.89 -179.01 3.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.888 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . 0.553 ' CH2' ' HB2' ' A' ' 31' ' ' LYS . 71.3 m95 -130.87 115.17 16.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.947 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.694 ' O ' HG12 ' A' ' 30' ' ' VAL . 21.2 mmt180 -104.24 141.61 35.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.84 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 70.8 mtt180 -76.67 146.83 37.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.896 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -145.0 152.6 24.63 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.474 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.495 ' O ' ' N ' ' A' ' 44' ' ' ILE . 50.3 tt0 -113.81 117.31 31.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.811 0.338 . . . . 0.0 110.938 -179.902 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 40.5 mm -44.63 90.51 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.101 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.865 HD11 ' HB2' ' A' ' 55' ' ' LEU . 41.3 mt -71.08 -65.99 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.102 179.821 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.406 ' O ' ' CG ' ' A' ' 45' ' ' ARG . 23.7 ptt180 -156.84 122.42 4.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.855 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.535 ' HG2' HG22 ' A' ' 52' ' ' VAL . 29.5 mtp -67.46 112.63 4.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.864 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.6 HG12 HG23 ' A' ' 48' ' ' THR . 36.0 t -75.46 -66.22 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.161 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.6 HG23 HG12 ' A' ' 47' ' ' VAL . 47.5 p -128.12 -176.21 3.73 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.113 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -71.77 -8.44 54.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.862 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 45.0 p -124.46 -20.82 5.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.123 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 85.9 mt -109.69 150.91 27.59 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.911 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.79 ' O ' HG23 ' A' ' 64' ' ' VAL . 49.0 t -155.49 132.06 2.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.133 179.834 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 9.7 tt0 -84.74 125.28 32.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.925 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 3.6 m -126.85 156.36 38.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.084 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.865 ' HB2' HD11 ' A' ' 44' ' ' ILE . 10.0 tp -112.59 120.36 41.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.891 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.456 ' O ' ' C ' ' A' ' 57' ' ' TYR . 40.4 mt -77.11 48.75 0.63 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.907 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.456 ' C ' ' O ' ' A' ' 56' ' ' LEU . 44.3 p90 -34.12 -37.06 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.92 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.44 ' OD1' ' C ' ' A' ' 56' ' ' LEU . 11.3 p-10 -48.99 -55.72 11.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.9 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.477 HG23 ' N ' ' A' ' 60' ' ' GLY . 34.5 m -95.15 -43.4 12.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.112 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.477 ' N ' HG23 ' A' ' 59' ' ' VAL . . . 111.99 52.58 0.53 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.536 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 41.2 t -139.43 125.63 23.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.797 0.332 . . . . 0.0 111.098 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -88.42 120.69 30.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.887 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.415 HD22 ' HG ' ' A' ' 56' ' ' LEU . 0.8 OUTLIER -151.55 175.6 12.16 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.89 -179.964 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.79 HG23 ' O ' ' A' ' 52' ' ' VAL . 3.6 p -133.17 130.02 57.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.089 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.88 HG11 HG21 ' A' ' 30' ' ' VAL . 6.9 m -121.76 174.67 5.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.074 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . 0.426 ' ND2' ' OD2' ' A' ' 68' ' ' ASP . 3.8 t30 -86.98 137.05 32.68 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.871 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 16.4 m -53.49 -37.15 29.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.098 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.513 ' HA ' ' CD1' ' A' ' 17' ' ' TRP . 0.3 OUTLIER -54.8 -17.96 4.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.873 179.918 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 6.5 m -103.26 -23.25 13.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.869 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 48.9 mt -65.1 162.98 15.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.898 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 23.9 mtp85 -158.44 143.83 16.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.822 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.415 ' HD2' HG21 ' A' ' 20' ' ' VAL . 42.6 mtpt -66.02 126.51 28.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.905 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.431 HD22 ' HB3' ' A' ' 27' ' ' HIS . 3.4 tp -65.3 106.01 1.26 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.861 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -58.16 145.31 37.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.843 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 20.5 pt-20 -69.77 -43.39 72.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.922 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 39.1 m-20 -57.55 -53.1 62.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.886 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 23.7 mt -70.59 -11.59 61.03 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.95 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 39.5 tttt -86.51 -34.78 19.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.923 179.809 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 63.7 p -69.15 -63.2 1.11 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.131 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 12.9 ptp -50.96 173.37 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.897 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 124.25 -35.64 3.16 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.455 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.435 ' O ' ' C ' ' A' ' 83' ' ' LEU . 31.1 mtt-85 48.07 41.52 15.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.836 0.35 . . . . 0.0 110.916 -179.857 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.753 ' H ' HD12 ' A' ' 83' ' ' LEU . 3.9 mp -34.51 145.8 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.922 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 25.9 p -164.22 115.55 1.3 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.857 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 8.7 mt . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.903 -179.988 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 N-CA-C 112.513 -0.235 . . . . 0.0 112.513 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 91.5 p -91.81 147.07 23.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.899 0.381 . . . . 0.0 110.854 -179.706 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.0 t -77.15 86.7 3.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.891 -179.815 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 135.17 43.01 0.11 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.519 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.4 t -90.33 140.75 29.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.905 0.383 . . . . 0.0 110.829 -179.739 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.437 ' O ' ' N ' ' A' ' 8' ' ' MET . 5.9 m -128.64 47.23 2.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.862 -179.853 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.476 ' O ' ' HB3' ' A' ' 10' ' ' ALA . . . 35.15 -95.63 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.461 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.72 ' HA ' HD13 ' A' ' 77' ' ' LEU . 1.6 mtp -38.15 -75.38 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.768 0.318 . . . . 0.0 110.914 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.766 ' H ' HD12 ' A' ' 9' ' ' ILE . 4.3 mp -46.72 -41.53 5.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.167 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.476 ' HB3' ' O ' ' A' ' 7' ' ' GLY . . . -54.88 -63.7 1.07 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.089 179.797 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.648 ' HB3' HD11 ' A' ' 77' ' ' LEU . . . -55.3 -54.86 38.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.109 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 24.7 m-85 -51.37 -44.62 62.16 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.868 -179.815 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -64.88 -55.57 18.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.837 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -53.22 -58.15 8.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.919 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 6.8 t -40.92 157.89 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.878 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 14.9 ptpt -112.29 169.79 8.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.876 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 46.2 t90 -65.77 127.55 32.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.918 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -130.66 141.48 42.11 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.612 0.72 . . . . 0.0 110.93 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.7 101.2 0.87 Allowed 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.711 2.274 . . . . 0.0 112.353 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.436 HG21 ' HD3' ' A' ' 72' ' ' LYS . 3.5 p -131.48 132.05 62.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.122 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -80.11 119.2 22.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.94 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . 0.521 ' CZ3' ' HB3' ' A' ' 28' ' ' CYS . 63.1 m95 -83.79 101.08 11.35 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.887 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.497 ' O ' HG21 ' A' ' 43' ' ' ILE . 41.3 mt-10 -82.79 160.68 22.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.903 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 12.6 m120 -66.65 153.03 44.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.918 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 55.5 m-20 59.22 48.97 9.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.89 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 26.6 mtp -122.05 168.17 12.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.873 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 65.3 m170 -123.84 138.26 54.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.882 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.521 ' HB3' ' CZ3' ' A' ' 22' ' ' TRP . 24.4 p -156.1 166.12 34.39 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.889 -179.911 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -105.6 113.54 27.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.082 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.76 HG21 HG11 ' A' ' 65' ' ' VAL . 7.4 p -95.5 155.61 3.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.166 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.534 ' HB2' ' CH2' ' A' ' 38' ' ' TRP . 18.4 ttpt -113.68 134.07 54.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.928 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.419 HG22 ' H ' ' A' ' 35' ' ' LYS . 20.3 mt -85.22 144.5 9.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.151 179.88 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -80.03 -61.36 2.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.883 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -58.34 -48.96 78.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.867 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.419 ' H ' HG22 ' A' ' 32' ' ' ILE . 11.2 mmtp -90.28 173.69 8.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.856 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 7.6 m120 -123.19 40.65 3.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.924 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 39.7 mt-30 -120.14 126.98 52.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.912 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . 0.534 ' CH2' ' HB2' ' A' ' 31' ' ' LYS . 42.0 m95 -82.52 108.62 16.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.948 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.447 ' CZ ' HG11 ' A' ' 59' ' ' VAL . 98.2 mtt180 -103.43 179.31 4.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.828 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -113.83 160.33 18.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.896 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -150.7 158.73 27.81 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.52 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.441 ' O ' ' N ' ' A' ' 44' ' ' ILE . 46.3 tt0 -108.25 121.35 44.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.791 0.329 . . . . 0.0 110.925 -179.9 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.497 HG21 ' O ' ' A' ' 23' ' ' GLU . 49.9 mm -51.24 89.08 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.162 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.951 HD11 ' HB2' ' A' ' 55' ' ' LEU . 52.9 mt -68.1 -69.58 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.176 179.864 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 9.4 ptp180 -155.05 124.57 6.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.866 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.463 ' HG2' HG22 ' A' ' 52' ' ' VAL . 30.2 mtp -67.15 115.43 6.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.883 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 38.6 t -78.08 -63.65 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.149 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.2 p -131.05 -178.21 4.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.157 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -68.71 -11.54 60.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.883 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.542 ' O ' HG22 ' A' ' 67' ' ' VAL . 69.4 p -121.14 -28.36 4.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.151 -179.86 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 77.1 mt -101.81 150.47 23.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.933 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.812 ' O ' HG23 ' A' ' 64' ' ' VAL . 25.2 t -152.92 132.42 3.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.151 179.846 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -84.24 122.06 28.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.907 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 2.6 m -127.01 157.2 38.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.142 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.951 ' HB2' HD11 ' A' ' 44' ' ' ILE . 10.2 tp -116.07 122.53 45.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.938 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.425 ' O ' ' C ' ' A' ' 57' ' ' TYR . 41.0 mt -78.49 49.39 0.86 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.924 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.425 ' C ' ' O ' ' A' ' 56' ' ' LEU . 40.4 p90 -35.96 -36.46 0.09 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.932 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -49.68 -49.83 45.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.908 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.51 HG23 ' N ' ' A' ' 60' ' ' GLY . 34.0 m -99.63 -44.98 11.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.095 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.51 ' N ' HG23 ' A' ' 59' ' ' VAL . . . 114.04 49.99 0.52 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.466 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 42.1 t -137.31 125.11 31.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.808 0.337 . . . . 0.0 111.102 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -89.35 120.3 30.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.825 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -153.41 175.18 13.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.884 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.812 HG23 ' O ' ' A' ' 52' ' ' VAL . 3.2 p -132.72 127.07 55.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.126 179.831 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.76 HG11 HG21 ' A' ' 30' ' ' VAL . 10.7 m -117.44 170.16 7.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.128 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 31.5 t30 -84.7 131.28 34.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.946 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.542 HG22 ' O ' ' A' ' 50' ' ' THR . 25.7 m -46.73 -20.97 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.138 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -61.22 -38.76 87.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.878 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 4.1 m -87.35 -16.58 34.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.901 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.474 ' HB3' ' CZ2' ' A' ' 22' ' ' TRP . 19.4 mt -69.54 139.23 53.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.905 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 12.5 mmp_? -135.71 143.3 45.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.869 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.436 ' HD3' HG21 ' A' ' 20' ' ' VAL . 15.3 mtmm -69.1 124.12 22.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.906 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 7.4 tp -62.45 93.47 0.05 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.913 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -56.68 141.18 44.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.862 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 21.0 tt0 -68.01 -46.56 70.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.897 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -54.04 -36.21 62.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.886 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.72 HD13 ' HA ' ' A' ' 8' ' ' MET . 96.8 mt -79.66 -32.46 41.56 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.966 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 16.2 tttm -60.2 -42.12 94.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.896 179.82 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.463 HG23 ' O ' ' A' ' 79' ' ' THR . 2.8 t -131.17 86.68 2.39 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.135 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 23.0 ptp -97.89 -43.92 6.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.877 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -116.84 -102.79 2.27 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.494 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 15.4 ttm180 -111.02 137.89 48.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.839 0.352 . . . . 0.0 110.868 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.415 HD22 ' OG1' ' A' ' 79' ' ' THR . 0.3 OUTLIER -125.43 155.44 40.43 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.921 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 98.9 p -108.62 44.97 1.07 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.839 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 36.0 tp . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.894 -179.978 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.273 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.7 m -67.63 142.25 56.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.862 0.363 . . . . 0.0 110.887 -179.778 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.2 m -135.64 127.86 30.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.831 -179.763 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 175.61 130.28 1.3 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.473 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.1 m -127.6 119.34 25.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.855 0.36 . . . . 0.0 110.826 -179.722 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.1 m -84.67 83.52 7.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.914 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -103.71 -58.2 0.73 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.462 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 3.0 mtp -46.1 -75.51 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.765 0.317 . . . . 0.0 110.84 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.735 ' H ' HD12 ' A' ' 9' ' ' ILE . 5.3 mp -42.93 -45.17 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.185 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -53.84 -59.42 4.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.098 179.765 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.43 ' HB3' HD11 ' A' ' 77' ' ' LEU . . . -56.96 -58.52 7.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.106 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.453 ' HB3' ' CE2' ' A' ' 38' ' ' TRP . 37.8 m-85 -49.79 -62.95 1.27 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.896 -179.815 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -47.08 -43.96 20.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.896 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 28.2 m-20 -68.47 -23.9 64.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.846 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.1 m -79.01 -179.05 6.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.849 -179.846 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.418 ' HA ' ' NZ ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -141.22 159.51 42.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.925 179.955 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 44.9 t90 -56.74 138.63 52.66 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.94 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -135.03 144.22 49.33 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.643 0.735 . . . . 0.0 110.863 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 90.97 0.51 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.72 2.28 . . . . 0.0 112.36 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.448 HG11 ' HG3' ' A' ' 72' ' ' LYS . 7.4 p -122.16 138.56 51.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.142 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.1 ttmp? -86.53 109.26 18.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.91 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . 0.456 ' CD1' HG12 ' A' ' 67' ' ' VAL . 50.2 m95 -72.32 102.63 3.17 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.886 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.835 ' O ' HG21 ' A' ' 43' ' ' ILE . 18.3 mt-10 -86.95 177.66 7.18 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.923 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 29.3 m120 -79.69 147.47 31.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.918 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 38.6 t70 57.98 49.69 11.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.885 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 31.4 mtp -122.72 162.2 22.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.903 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 16.1 m170 -112.13 132.7 54.71 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.885 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.44 ' HB3' ' CZ3' ' A' ' 22' ' ' TRP . 24.4 p -149.41 165.74 31.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.873 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -105.4 132.85 51.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.124 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 1.8 p -107.12 130.09 59.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.106 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 13.8 tttm -101.44 126.86 48.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.864 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.57 HD11 ' NE ' ' A' ' 39' ' ' ARG . 13.6 mt -82.59 151.64 4.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.094 179.883 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 21.9 pt20 -96.39 -52.76 3.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.917 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -57.56 -17.96 16.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.841 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 21.3 mmmt -127.77 -177.98 4.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.914 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 59.0 t30 -123.99 36.87 4.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.84 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 43.3 mt-30 -117.65 151.37 37.35 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.924 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . 0.453 ' CE2' ' HB3' ' A' ' 12' ' ' TYR . 29.3 m95 -103.82 127.79 51.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.896 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.57 ' NE ' HD11 ' A' ' 32' ' ' ILE . 54.6 mtm180 -115.66 175.49 5.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.859 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 61.3 mtm180 -123.65 153.92 40.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.865 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -152.82 157.67 27.43 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.46 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.408 ' O ' ' N ' ' A' ' 44' ' ' ILE . 57.9 tt0 -108.94 114.42 28.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.78 0.324 . . . . 0.0 110.924 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.835 HG21 ' O ' ' A' ' 23' ' ' GLU . 50.1 mm -41.33 96.47 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.16 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.882 HD11 ' HB2' ' A' ' 55' ' ' LEU . 53.3 mt -74.83 -67.65 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.119 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 8.0 ptm180 -155.72 125.55 6.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.858 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.555 ' HG2' HG22 ' A' ' 52' ' ' VAL . 16.4 mtp -69.09 115.89 8.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.837 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.609 HG12 HG23 ' A' ' 48' ' ' THR . 45.9 t -80.38 -72.42 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.139 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.609 HG23 HG12 ' A' ' 47' ' ' VAL . 78.2 p -119.82 -177.37 3.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.169 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -71.4 -7.06 44.83 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.826 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.455 ' O ' HG22 ' A' ' 67' ' ' VAL . 46.3 p -125.01 -27.85 3.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.089 -179.842 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 30.7 mt -101.4 152.22 20.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.895 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.776 ' C ' HG23 ' A' ' 64' ' ' VAL . 20.2 t -154.08 133.01 3.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.097 179.844 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 9.1 tt0 -84.32 123.71 30.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.888 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 2.0 m -127.88 159.71 38.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.158 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.882 ' HB2' HD11 ' A' ' 44' ' ' ILE . 6.8 tp -116.46 120.68 39.55 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.861 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.534 HD12 ' HB ' ' A' ' 61' ' ' VAL . 37.0 mt -75.92 51.0 0.62 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.921 179.856 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.416 ' CD1' HD21 ' A' ' 83' ' ' LEU . 30.8 p90 -38.38 -31.12 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.871 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.408 ' N ' ' O ' ' A' ' 56' ' ' LEU . 8.6 p-10 -55.03 -48.01 73.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.852 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.496 HG23 ' N ' ' A' ' 60' ' ' GLY . 27.7 m -102.99 -45.1 10.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.181 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.496 ' N ' HG23 ' A' ' 59' ' ' VAL . . . 115.65 48.79 0.49 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.493 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.534 ' HB ' HD12 ' A' ' 56' ' ' LEU . 39.2 t -136.58 124.7 34.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.786 0.327 . . . . 0.0 111.152 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 51.3 mt-10 -89.22 120.62 30.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.864 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -151.95 174.4 13.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.922 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.776 HG23 ' C ' ' A' ' 52' ' ' VAL . 3.7 p -130.62 127.67 62.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.126 179.805 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 4.1 m -119.65 172.21 7.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.108 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 14.3 t30 -86.5 131.7 34.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.93 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.487 ' HA ' HD12 ' A' ' 70' ' ' LEU . 19.6 m -45.92 -25.77 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.154 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -57.86 -39.94 78.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.852 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 3.5 m -82.98 -29.08 29.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.872 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.487 HD12 ' HA ' ' A' ' 67' ' ' VAL . 71.7 mt -61.8 145.23 53.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.871 -179.883 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 7.8 tpp180 -136.54 148.84 47.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.858 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.448 ' HG3' HG11 ' A' ' 20' ' ' VAL . 12.7 mtpt -68.0 137.22 54.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.926 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.446 HD12 ' OH ' ' A' ' 12' ' ' TYR . 3.0 tp -85.23 97.96 10.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.928 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -60.62 156.26 17.0 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.925 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 -72.67 -39.18 67.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.896 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -51.16 -36.66 42.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.903 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.43 HD11 ' HB3' ' A' ' 11' ' ' ALA . 92.2 mt -90.93 -7.33 52.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.875 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 20.5 ttpt -82.51 -49.72 9.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.886 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 1.1 t -56.72 -14.6 3.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.172 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 1.9 ptm -129.21 112.71 14.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.849 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 101.43 92.98 2.17 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.489 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 44.0 ptt85 -139.19 167.01 23.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.847 0.356 . . . . 0.0 110.864 -179.837 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.416 HD21 ' CD1' ' A' ' 57' ' ' TYR . 0.6 OUTLIER -49.74 109.23 0.26 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.916 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 27.7 t -155.1 113.34 3.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.891 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 36.9 tp . . . . . 0 C--N 1.328 -0.352 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.938 180.0 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.361 0 N-CA-C 112.507 -0.237 . . . . 0.0 112.507 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.9 m -62.25 -50.24 72.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.886 0.374 . . . . 0.0 110.901 -179.777 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.2 t -85.69 108.55 18.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.879 -179.856 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 101.17 123.51 5.2 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.475 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.0 t -41.67 97.6 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.871 0.367 . . . . 0.0 110.884 -179.785 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 72.4 m -108.01 103.09 12.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.864 -179.803 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -105.46 -58.53 0.65 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.504 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.9 mtp -53.2 -75.39 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.796 0.331 . . . . 0.0 110.882 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.794 ' H ' HD12 ' A' ' 9' ' ' ILE . 4.9 mp -43.68 -56.92 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.14 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.436 ' O ' ' CB ' ' A' ' 14' ' ' ASN . . . -46.07 -51.67 13.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.063 179.821 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -57.35 -60.26 3.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.146 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.63 ' CZ ' HD13 ' A' ' 77' ' ' LEU . 25.2 m-85 -53.22 -66.15 0.44 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.891 -179.88 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -49.22 -33.12 11.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.864 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.436 ' CB ' ' O ' ' A' ' 10' ' ' ALA . 6.5 t-20 -72.17 -36.22 69.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.845 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.4 t -80.59 176.5 9.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 27.1 mtmt -121.04 173.17 7.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.917 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . 0.493 ' CH2' ' HA ' ' A' ' 19' ' ' PRO . 89.4 t90 -60.36 157.41 13.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.854 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.427 ' CD ' ' HD2' ' A' ' 19' ' ' PRO . 7.8 tp10 -147.96 137.64 12.29 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.657 0.742 . . . . 0.0 110.923 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.493 ' HA ' ' CH2' ' A' ' 17' ' ' TRP . 53.9 Cg_endo -69.76 92.38 0.51 Allowed 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.683 2.255 . . . . 0.0 112.328 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 2.5 p -129.76 126.49 62.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.135 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 9.9 tptp -73.25 112.79 9.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.871 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 58.0 m95 -75.43 117.71 17.51 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.906 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 66.5 mt-10 -108.04 151.42 25.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.869 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -56.64 161.22 2.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.907 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 26.6 t0 53.71 49.78 18.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.885 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 33.9 mtp -127.51 165.41 19.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.886 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 7.7 m170 -120.27 132.9 55.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.862 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 6.1 p -151.35 168.3 25.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.895 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -109.14 116.84 32.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.143 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.93 HG21 HG11 ' A' ' 65' ' ' VAL . 4.4 p -95.28 148.75 4.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.141 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.436 ' HB2' ' CH2' ' A' ' 38' ' ' TRP . 31.8 ttpt -106.33 130.1 54.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.872 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 41.0 mt -93.92 136.95 23.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.141 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 11.9 mm100 -75.74 -67.28 0.68 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.927 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 36.0 m-20 -45.33 -44.63 11.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.85 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 2.5 mppt? -97.1 173.21 7.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.857 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 14.1 t30 -122.12 31.6 6.13 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.864 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 4.8 pt20 -120.23 135.96 54.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.932 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . 0.436 ' CH2' ' HB2' ' A' ' 31' ' ' LYS . 25.0 m95 -87.52 118.84 27.26 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.903 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.414 ' CZ ' HD13 ' A' ' 56' ' ' LEU . 22.4 mtm180 -107.52 165.76 11.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.902 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 56.9 mtm180 -105.52 151.71 23.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.848 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -147.88 160.08 28.22 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.479 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 34.1 tt0 -110.32 123.26 49.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.787 0.327 . . . . 0.0 110.923 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 45.0 mm -52.05 94.1 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.084 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.837 HD11 ' HB2' ' A' ' 55' ' ' LEU . 46.5 mt -72.15 -68.13 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.115 179.835 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 17.1 ptt180 -155.42 125.83 6.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.85 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.411 ' HG2' HG22 ' A' ' 52' ' ' VAL . 47.3 mtp -68.78 119.83 13.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.885 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.721 HG12 HG23 ' A' ' 48' ' ' THR . 57.6 t -82.72 -65.43 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.132 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.721 HG23 HG12 ' A' ' 47' ' ' VAL . 73.2 p -126.89 -179.16 4.69 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.143 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 33.8 m-20 -70.05 -4.2 19.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.877 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.481 ' O ' HG22 ' A' ' 67' ' ' VAL . 45.3 p -127.99 -28.22 2.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.144 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.494 HD23 ' OD1' ' A' ' 66' ' ' ASN . 42.1 mt -101.99 153.0 20.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.956 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.773 ' O ' HG23 ' A' ' 64' ' ' VAL . 29.3 t -156.17 131.8 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.15 179.807 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 11.6 tt0 -84.33 124.1 30.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.842 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 2.0 m -125.21 166.49 20.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.126 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.837 ' HB2' HD11 ' A' ' 44' ' ' ILE . 9.3 tp -122.25 119.21 30.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.904 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.492 ' HG ' HD22 ' A' ' 63' ' ' LEU . 27.1 mt -75.86 48.74 0.49 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.91 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.441 ' C ' ' O ' ' A' ' 56' ' ' LEU . 41.6 p90 -35.15 -34.25 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.91 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.447 ' N ' ' O ' ' A' ' 56' ' ' LEU . 16.0 t70 -51.1 -50.07 59.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.86 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.453 HG23 ' N ' ' A' ' 60' ' ' GLY . 34.1 m -101.17 -41.71 8.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.123 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.453 ' N ' HG23 ' A' ' 59' ' ' VAL . . . 111.18 49.65 0.66 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.483 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 38.7 t -136.56 125.49 36.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.778 0.323 . . . . 0.0 111.109 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -87.77 121.27 29.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.902 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.492 HD22 ' HG ' ' A' ' 56' ' ' LEU . 0.9 OUTLIER -151.58 176.55 11.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.897 -179.964 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.773 HG23 ' O ' ' A' ' 52' ' ' VAL . 3.2 p -134.69 123.3 41.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.126 179.852 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.93 HG11 HG21 ' A' ' 30' ' ' VAL . 5.6 m -115.48 171.24 4.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.109 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . 0.494 ' OD1' HD23 ' A' ' 51' ' ' LEU . 21.4 t30 -82.94 137.04 34.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.884 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.548 ' HA ' HD12 ' A' ' 70' ' ' LEU . 30.1 m -53.4 -36.24 26.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.149 179.881 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.478 ' OD1' ' N ' ' A' ' 69' ' ' CYS . 0.6 OUTLIER -54.89 -26.49 36.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.834 179.969 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . 0.478 ' N ' ' OD1' ' A' ' 68' ' ' ASP . 3.1 m -93.68 -21.43 19.36 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.91 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.548 HD12 ' HA ' ' A' ' 67' ' ' VAL . 74.2 mt -70.98 151.84 44.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.936 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 12.4 mmm180 -145.06 145.5 31.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.925 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 7.4 mtpm? -66.42 140.2 58.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.899 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 6.6 tp -83.86 110.35 18.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.898 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -68.19 155.65 39.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.884 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -53.45 -50.56 65.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.898 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 12.4 t-20 -69.97 -45.7 66.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.886 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.63 HD13 ' CZ ' ' A' ' 12' ' ' TYR . 74.6 mt -56.96 -32.4 65.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.963 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.465 ' HG3' ' N ' ' A' ' 79' ' ' THR . 0.0 OUTLIER -82.93 -30.41 28.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.887 179.796 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.465 ' N ' ' HG3' ' A' ' 78' ' ' LYS . 21.7 p -126.65 73.89 1.43 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.127 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 17.8 ttp -134.64 141.4 46.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.89 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 49.51 -137.94 19.37 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.532 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 11.5 mmm180 -111.11 162.03 15.33 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.83 0.348 . . . . 0.0 110.881 -179.836 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 5.6 mp -89.36 133.53 34.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.9 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 60.5 p -88.94 41.68 1.04 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.873 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 25.6 tp . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.913 179.996 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.372 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 72.2 m -153.71 175.25 13.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.899 0.381 . . . . 0.0 110.859 -179.748 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 60.6 p -52.61 -42.97 65.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.882 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 118.25 82.05 0.82 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.48 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 87.6 p -76.0 123.51 25.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.873 0.368 . . . . 0.0 110.869 -179.763 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.559 ' O ' ' HB2' ' A' ' 10' ' ' ALA . 53.6 p -104.45 82.69 1.95 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.884 -179.852 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -56.36 -53.89 39.88 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.488 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 5.8 mtp -49.85 -75.38 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.722 0.296 . . . . 0.0 110.88 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.762 ' H ' HD12 ' A' ' 9' ' ' ILE . 4.6 mp -48.95 -41.96 13.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.173 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.559 ' HB2' ' O ' ' A' ' 6' ' ' SER . . . -50.29 -57.94 6.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.063 179.826 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.6 -55.09 30.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.082 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.415 ' CD1' ' HD3' ' A' ' 71' ' ' ARG . 26.0 m-85 -50.55 -32.47 18.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.959 -179.863 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -76.98 -51.92 10.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.861 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -60.33 -57.43 12.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.903 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.7 t -47.18 174.93 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.851 -179.822 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.58 156.78 41.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.91 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . 0.566 ' CD1' ' HA ' ' A' ' 68' ' ' ASP . 73.6 t90 -55.39 135.93 49.87 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.953 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.43 ' CD ' ' HD2' ' A' ' 19' ' ' PRO . 5.1 tp10 -128.58 139.47 35.67 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.642 0.734 . . . . 0.0 110.918 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.43 ' HD2' ' CD ' ' A' ' 18' ' ' GLU . 52.9 Cg_endo -69.83 99.21 0.74 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.651 2.234 . . . . 0.0 112.322 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 1.5 p -129.5 135.56 61.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.147 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 14.5 tppt? -73.98 116.55 14.74 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.897 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . 0.448 ' CZ3' ' HB3' ' A' ' 28' ' ' CYS . 83.4 m95 -83.31 125.1 31.26 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.899 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -113.51 152.98 29.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.891 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 12.0 m120 -62.54 144.76 55.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.938 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 71.07 43.53 0.65 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.846 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 37.9 mtp -123.2 160.26 26.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.871 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 5.1 m170 -105.73 138.06 42.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.855 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.448 ' HB3' ' CZ3' ' A' ' 22' ' ' TRP . 31.4 p -157.67 164.35 37.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.869 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -113.81 116.56 29.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.079 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.814 HG21 HG11 ' A' ' 65' ' ' VAL . 2.2 p -92.73 144.78 8.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.143 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.573 ' HB2' ' CH2' ' A' ' 38' ' ' TRP . 24.2 ttpt -102.12 117.45 34.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.933 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 16.4 mt -69.06 139.12 20.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.125 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 10.5 mm-40 -73.39 -75.28 0.15 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.927 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -51.91 -52.44 49.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.885 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -70.39 160.18 32.79 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.899 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 24.7 m-20 -113.38 36.11 3.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.864 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.449 ' CD ' ' N ' ' A' ' 38' ' ' TRP . 0.0 OUTLIER -123.91 -174.95 3.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.942 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . 0.573 ' CH2' ' HB2' ' A' ' 31' ' ' LYS . 40.2 m95 -130.07 119.6 23.34 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.97 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 65.1 mtt180 -109.08 155.76 20.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.908 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 1.1 mpp_? -99.83 146.4 26.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.887 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -142.25 164.87 26.82 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.512 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 39.8 tt0 -116.14 122.22 44.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.845 0.355 . . . . 0.0 110.881 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 38.0 mm -49.53 95.4 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.143 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.851 HD11 ' HB2' ' A' ' 55' ' ' LEU . 47.6 mt -74.2 -65.79 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.128 179.868 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.437 ' O ' ' CG ' ' A' ' 45' ' ' ARG . 21.2 ptt180 -157.8 121.57 4.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.899 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 28.4 mtp -65.3 116.98 7.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.905 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.671 HG12 HG23 ' A' ' 48' ' ' THR . 42.0 t -78.44 -62.85 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.176 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.671 HG23 HG12 ' A' ' 47' ' ' VAL . 24.3 p -134.47 -176.36 4.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.12 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -73.54 0.19 13.3 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.903 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.651 ' O ' HG22 ' A' ' 67' ' ' VAL . 76.9 p -128.48 -28.86 2.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.176 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.517 ' O ' HG23 ' A' ' 52' ' ' VAL . 21.4 mt -107.87 158.13 17.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.937 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.803 ' O ' HG23 ' A' ' 64' ' ' VAL . 19.9 t -158.37 133.27 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.15 179.842 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -84.29 123.55 30.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.93 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 2.8 m -124.67 163.23 25.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.12 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.851 ' HB2' HD11 ' A' ' 44' ' ' ILE . 9.4 tp -119.54 121.51 39.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.865 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.42 ' O ' ' N ' ' A' ' 58' ' ' ASP . 59.1 mt -77.96 51.7 0.99 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.938 179.864 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 44.0 p90 -38.18 -30.57 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.888 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.42 ' N ' ' O ' ' A' ' 56' ' ' LEU . 5.1 m-20 -54.91 -47.65 74.08 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.904 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.493 HG23 ' N ' ' A' ' 60' ' ' GLY . 35.0 m -104.91 -43.96 8.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.121 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.493 ' N ' HG23 ' A' ' 59' ' ' VAL . . . 113.35 51.51 0.5 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.5 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 39.9 t -137.32 126.51 35.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.815 0.34 . . . . 0.0 111.138 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -88.25 121.25 30.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.909 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -152.62 175.03 13.23 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.912 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.803 HG23 ' O ' ' A' ' 52' ' ' VAL . 2.8 p -132.61 130.36 59.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.156 179.822 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.814 HG11 HG21 ' A' ' 30' ' ' VAL . 9.5 m -121.55 170.84 11.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.11 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 3.4 t30 -80.53 136.29 36.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.917 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.651 HG22 ' O ' ' A' ' 50' ' ' THR . 6.7 m -54.22 -39.43 42.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.093 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.566 ' HA ' ' CD1' ' A' ' 17' ' ' TRP . 0.7 OUTLIER -52.65 -21.14 3.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.848 179.955 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . 0.491 ' N ' ' OD1' ' A' ' 68' ' ' ASP . 18.8 m -96.81 -31.56 12.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.852 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.43 HD22 ' SG ' ' A' ' 28' ' ' CYS . 64.8 mt -57.78 160.41 4.55 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.904 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.415 ' HD3' ' CD1' ' A' ' 12' ' ' TYR . 8.1 mtp85 -151.9 143.86 23.79 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.837 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 14.1 mmmt -69.11 130.63 43.26 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.856 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 1.8 tp -82.78 118.45 23.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.91 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 44.7 mm-40 -92.19 151.12 20.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.872 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.466 ' HG3' ' N ' ' A' ' 76' ' ' ASN . 12.9 pt-20 -70.06 -48.38 58.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.928 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . 0.466 ' N ' ' HG3' ' A' ' 75' ' ' GLU . 1.2 p-10 -50.87 -36.48 38.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.929 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 35.3 mt -86.0 -19.62 30.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.911 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 12.4 ttpt -66.47 -47.32 73.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.93 179.813 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.511 HG23 ' SD ' ' A' ' 80' ' ' MET . 10.0 t -57.46 -42.25 82.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.142 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . 0.511 ' SD ' HG23 ' A' ' 79' ' ' THR . 3.4 mpp? -66.3 112.13 3.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.873 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 118.38 -124.32 6.02 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.443 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 27.9 ttt180 -79.31 156.75 27.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.826 0.346 . . . . 0.0 110.866 -179.828 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 40.5 mt -117.43 150.41 38.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.965 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 2.5 m -119.53 95.34 4.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.871 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.935 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 80.4 p -138.89 150.73 46.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.862 0.363 . . . . 0.0 110.893 -179.726 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 50.8 m -107.27 131.2 54.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.853 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -143.97 155.63 26.3 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.489 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 83.2 p -48.97 131.95 18.75 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.872 0.368 . . . . 0.0 110.892 -179.748 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 68.9 m -118.26 106.21 12.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.858 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -111.52 -49.89 0.63 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.465 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.9 mtp -58.97 -75.44 0.05 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.776 0.322 . . . . 0.0 110.858 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.772 ' H ' HD12 ' A' ' 9' ' ' ILE . 5.1 mp -47.08 -42.3 6.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.112 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.71 -63.56 1.25 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.078 179.826 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -49.95 -54.43 19.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.106 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.432 ' O ' ' C ' ' A' ' 13' ' ' GLU . 49.7 m-85 -57.48 -69.68 0.16 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.891 -179.839 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.432 ' C ' ' O ' ' A' ' 12' ' ' TYR . 21.0 tt0 -35.51 -51.71 0.63 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.903 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 11.9 m-20 -63.22 -46.02 88.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.857 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 22.3 t -62.8 142.97 57.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.833 -179.828 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 6.8 mtmp? -92.4 179.2 5.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.901 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . 0.447 ' CD1' ' HA ' ' A' ' 68' ' ' ASP . 89.9 t90 -71.3 161.05 31.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.905 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.432 ' CD ' ' HD2' ' A' ' 19' ' ' PRO . 25.6 tp10 -150.19 137.28 11.38 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.608 0.718 . . . . 0.0 110.874 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.432 ' HD2' ' CD ' ' A' ' 18' ' ' GLU . 53.3 Cg_endo -69.8 98.99 0.72 Allowed 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.734 2.289 . . . . 0.0 112.325 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 2.3 p -134.1 143.19 39.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.167 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 13.6 ttpp -85.86 115.74 23.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.922 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 67.5 m95 -80.65 120.68 24.89 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.899 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.49 ' O ' HG21 ' A' ' 43' ' ' ILE . 49.0 mt-10 -101.67 167.53 10.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.873 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 5.2 t-20 -74.51 148.21 41.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.909 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 71.2 m-20 62.26 45.66 6.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.863 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 29.8 mtp -118.75 162.88 17.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.868 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 6.6 m170 -112.25 142.98 44.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.872 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 14.4 p -163.61 172.11 14.79 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.902 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -115.28 120.27 39.11 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.116 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.893 HG21 HG11 ' A' ' 65' ' ' VAL . 5.6 p -98.83 151.04 4.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.082 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 20.7 ttpt -106.55 119.06 38.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.916 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 31.1 mt -69.93 142.98 15.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.142 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 43.5 mt-30 -76.3 -73.67 0.27 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.882 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 72.1 m-20 -46.66 -49.97 18.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.901 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 12.5 mmmt -87.46 -177.85 6.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.878 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 66.5 m-80 -130.15 31.03 4.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.883 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 8.6 tp60 -111.93 149.91 31.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.937 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . 0.5 ' CD1' HG23 ' A' ' 9' ' ' ILE . 65.4 m95 -97.77 121.17 39.36 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.911 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 14.8 mmt-85 -111.03 154.75 23.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.859 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 38.4 mtm180 -90.65 136.24 33.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.866 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -133.55 159.77 23.77 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.526 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.462 ' O ' ' N ' ' A' ' 44' ' ' ILE . 50.9 tt0 -117.16 119.79 36.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.82 0.343 . . . . 0.0 110.911 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.49 HG21 ' O ' ' A' ' 23' ' ' GLU . 45.0 mm -46.75 91.1 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.175 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.885 HD11 ' HB2' ' A' ' 55' ' ' LEU . 41.1 mt -70.39 -65.34 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.164 179.881 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 6.0 ptm180 -157.58 124.77 5.13 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.849 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 32.1 mtp -68.87 114.49 7.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.846 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.646 HG12 HG23 ' A' ' 48' ' ' THR . 58.4 t -79.56 -68.07 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.094 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.646 HG23 HG12 ' A' ' 47' ' ' VAL . 73.8 p -122.11 -179.29 4.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.141 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -71.26 -5.33 31.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.898 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.527 ' O ' HG22 ' A' ' 67' ' ' VAL . 63.3 p -126.5 -27.02 3.2 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.112 -179.86 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.425 HD23 ' OD1' ' A' ' 66' ' ' ASN . 43.0 mt -103.38 153.62 20.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.962 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.789 ' O ' HG23 ' A' ' 64' ' ' VAL . 73.6 t -155.97 134.0 2.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.126 179.851 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 18.1 tt0 -84.55 125.58 32.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.919 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 2.6 m -126.88 158.76 37.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.154 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.885 ' HB2' HD11 ' A' ' 44' ' ' ILE . 8.3 tp -116.1 118.7 33.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.931 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.435 ' O ' ' C ' ' A' ' 57' ' ' TYR . 36.7 mt -76.78 47.66 0.52 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.92 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.503 ' CD1' ' N ' ' A' ' 58' ' ' ASP . 25.7 p90 -35.0 -37.82 0.07 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.959 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.503 ' N ' ' CD1' ' A' ' 57' ' ' TYR . 20.1 t0 -48.43 -50.16 32.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.899 179.863 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.495 HG23 ' N ' ' A' ' 60' ' ' GLY . 34.4 m -98.88 -44.38 11.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.087 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.495 ' N ' HG23 ' A' ' 59' ' ' VAL . . . 113.44 49.95 0.54 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.737 -0.745 . . . . 0.0 112.465 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 42.7 t -138.39 125.89 28.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.786 0.327 . . . . 0.0 111.135 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 -90.42 119.35 30.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.897 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -151.48 175.23 12.5 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.867 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.789 HG23 ' O ' ' A' ' 52' ' ' VAL . 3.4 p -131.79 129.44 61.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.133 179.812 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.893 HG11 HG21 ' A' ' 30' ' ' VAL . 4.3 m -121.39 172.12 8.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.139 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . 0.425 ' OD1' HD23 ' A' ' 51' ' ' LEU . 24.5 t30 -83.22 136.43 34.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.892 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.527 HG22 ' O ' ' A' ' 50' ' ' THR . 31.2 m -53.07 -36.69 25.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.156 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.447 ' HA ' ' CD1' ' A' ' 17' ' ' TRP . 0.5 OUTLIER -57.05 -21.37 30.81 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.858 179.922 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 1.8 m -96.14 -23.27 16.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.867 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 80.5 mt -68.45 152.67 45.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.966 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.488 ' HG3' ' CH2' ' A' ' 38' ' ' TRP . 8.4 mmp_? -140.65 143.7 35.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.863 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 16.5 mtpp -69.07 127.56 33.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.882 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 3.8 tp -75.06 100.56 4.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.905 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -57.43 -175.51 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.856 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -95.68 -36.94 11.02 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.903 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 17.1 t-20 -62.93 -48.21 79.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.872 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.449 HD23 ' HE3' ' A' ' 80' ' ' MET . 15.7 mt -77.14 -11.21 59.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.921 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 18.4 tttt -81.43 -39.46 24.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.881 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 13.8 t -90.48 2.9 55.26 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.111 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . 0.449 ' HE3' HD23 ' A' ' 77' ' ' LEU . 33.1 mtm -102.55 69.17 1.08 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.883 179.879 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . 0.403 ' C ' ' HD2' ' A' ' 82' ' ' ARG . . . 168.68 -125.61 1.3 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.448 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.403 ' HD2' ' C ' ' A' ' 81' ' ' GLY . 7.2 mpt_? -133.6 157.97 44.38 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.855 0.359 . . . . 0.0 110.843 -179.854 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.641 ' O ' HD12 ' A' ' 83' ' ' LEU . 2.1 pp -168.76 155.88 7.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.894 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 85.2 p -114.17 81.64 1.57 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.87 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 14.1 tp . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.9 -179.98 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 N-CA-C 112.484 -0.246 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.4 m -80.8 -59.47 2.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.881 0.372 . . . . 0.0 110.891 -179.776 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 27.5 m -49.62 168.25 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.867 -179.826 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -177.54 135.35 2.72 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.461 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.6 t -86.44 41.33 0.93 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.82 0.343 . . . . 0.0 110.861 -179.737 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 21.3 m -130.82 116.21 17.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.862 -179.811 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -109.0 -57.18 0.54 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.519 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.41 ' HA ' HD22 ' A' ' 77' ' ' LEU . 1.9 mtp -56.25 -74.95 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.77 0.319 . . . . 0.0 110.848 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.746 ' H ' HD12 ' A' ' 9' ' ' ILE . 5.3 mp -46.84 -49.57 6.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.156 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -52.86 -51.73 59.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.141 179.76 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.29 -60.11 4.04 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.096 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 21.0 m-85 -48.01 -47.51 33.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.957 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.15 -53.35 59.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.877 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -55.12 -59.52 4.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.898 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.4 t -48.03 153.44 0.66 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.837 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -110.1 150.12 29.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.897 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 91.5 t90 -41.17 150.12 0.09 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.921 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.431 ' CD ' ' HD2' ' A' ' 19' ' ' PRO . 35.4 tp10 -145.16 137.39 13.29 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.64 0.733 . . . . 0.0 110.869 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.431 ' HD2' ' CD ' ' A' ' 18' ' ' GLU . 53.6 Cg_endo -69.76 93.79 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.665 2.243 . . . . 0.0 112.32 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 5.6 p -126.67 134.52 66.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.151 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 30.7 ttmt -79.42 111.27 15.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.889 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . 0.548 ' CZ2' ' HB3' ' A' ' 70' ' ' LEU . 80.4 m95 -74.29 122.77 23.39 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.891 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -106.33 151.8 24.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.91 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 30.2 m120 -61.03 143.24 55.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.822 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 26.7 t0 70.96 48.15 0.4 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.864 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 25.9 mtp -128.14 167.72 16.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.903 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 29.2 m170 -117.88 146.71 43.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.866 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.478 ' HB3' ' CZ3' ' A' ' 22' ' ' TRP . 9.0 p -163.17 163.2 25.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.873 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -107.45 124.57 50.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.086 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.894 HG21 HG11 ' A' ' 65' ' ' VAL . 6.6 p -111.09 138.99 37.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.111 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.519 ' HB2' ' CH2' ' A' ' 38' ' ' TRP . 23.9 ttpt -88.48 117.54 27.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.89 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.511 HG22 ' H ' ' A' ' 35' ' ' LYS . 79.2 mt -73.15 136.41 25.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.167 179.823 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 14.8 pt20 -79.71 -45.2 19.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.924 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -59.01 -52.04 67.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.877 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.511 ' H ' HG22 ' A' ' 32' ' ' ILE . 1.1 mptp? -98.16 -176.78 3.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.92 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 5.5 m-80 -120.06 36.44 4.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.86 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 16.0 mm100 -117.34 178.91 4.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.963 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . 0.534 ' CD1' HG23 ' A' ' 9' ' ' ILE . 52.3 m95 -124.28 110.65 14.87 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.888 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.44 ' NH1' HG11 ' A' ' 59' ' ' VAL . 4.4 mmt85 -107.57 138.33 43.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.869 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.438 ' NH1' ' HB3' ' A' ' 58' ' ' ASP . 4.8 ptt85 -92.99 145.4 24.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.855 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -134.87 172.67 21.89 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.484 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 43.6 tt0 -108.81 122.28 46.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.75 0.31 . . . . 0.0 110.929 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 47.9 mm -50.28 94.49 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.103 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.829 HD11 ' HB2' ' A' ' 55' ' ' LEU . 53.3 mt -70.89 -66.47 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.137 179.856 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 3.8 ptm180 -157.24 131.05 8.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.896 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.474 ' HG2' HG22 ' A' ' 52' ' ' VAL . 16.9 mtp -73.54 110.85 8.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.852 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 30.8 t -74.07 -65.9 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.138 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.2 p -128.62 -176.23 3.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.175 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -72.82 -2.09 19.25 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.895 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.423 ' O ' HG22 ' A' ' 67' ' ' VAL . 17.0 p -128.68 -29.31 2.39 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.127 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.444 HD23 ' OD1' ' A' ' 66' ' ' ASN . 88.2 mt -101.47 153.35 19.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.915 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.824 ' O ' HG23 ' A' ' 64' ' ' VAL . 20.3 t -154.87 132.09 2.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.127 179.782 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.416 ' O ' ' N ' ' A' ' 44' ' ' ILE . 12.9 tt0 -84.27 123.98 30.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.882 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 2.1 m -126.19 157.48 36.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.171 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.829 ' HB2' HD11 ' A' ' 44' ' ' ILE . 11.0 tp -116.01 123.09 47.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.906 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.49 ' O ' ' N ' ' A' ' 58' ' ' ASP . 23.8 mt -81.63 44.41 0.81 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.915 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.436 ' C ' ' O ' ' A' ' 56' ' ' LEU . 42.1 p90 -33.9 -33.82 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.932 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.635 ' OD2' HG13 ' A' ' 59' ' ' VAL . 5.2 p-10 -50.93 -54.85 20.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.869 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.635 HG13 ' OD2' ' A' ' 58' ' ' ASP . 26.8 m -95.65 -37.54 7.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.13 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 108.05 53.33 0.66 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.495 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 42.8 t -141.86 126.24 16.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.773 0.32 . . . . 0.0 111.142 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -91.75 118.82 31.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.885 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.455 HD23 ' C ' ' A' ' 63' ' ' LEU . 0.5 OUTLIER -150.47 175.88 11.46 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.921 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.824 HG23 ' O ' ' A' ' 52' ' ' VAL . 3.5 p -133.17 128.97 56.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.182 179.804 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.894 HG11 HG21 ' A' ' 30' ' ' VAL . 5.3 m -118.96 170.96 7.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.09 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . 0.444 ' OD1' HD23 ' A' ' 51' ' ' LEU . 18.6 t30 -85.56 134.05 34.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.904 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.423 HG22 ' O ' ' A' ' 50' ' ' THR . 33.8 m -51.22 -19.11 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.153 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -62.48 -31.21 71.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.882 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 45.9 m -95.63 -19.51 19.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.894 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.548 ' HB3' ' CZ2' ' A' ' 22' ' ' TRP . 26.9 mt -61.82 145.09 53.69 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.921 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 2.2 mmp_? -139.9 146.86 39.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.89 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 28.3 mtmm -71.77 112.58 7.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.925 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 2.4 tp -64.03 94.67 0.11 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.952 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -59.79 163.24 4.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.881 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -72.76 -47.37 47.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.829 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 16.1 m-80 -57.22 -56.77 17.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.873 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.41 HD22 ' HA ' ' A' ' 8' ' ' MET . 55.8 mt -53.79 -35.95 61.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.922 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 31.2 tttp -62.64 -49.49 74.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.944 179.807 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 77.8 p -115.98 82.33 1.75 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.133 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 8.1 ptp -120.15 178.28 4.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.868 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 59.24 -143.47 46.01 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.499 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 7.3 ptt180 -63.97 149.14 47.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.891 0.377 . . . . 0.0 110.877 -179.854 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 2.4 pt? -49.02 -28.95 4.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.902 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 19.8 m -116.59 76.53 1.03 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.826 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.479 ' C ' HD12 ' A' ' 85' ' ' LEU . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.959 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.3 t -172.73 140.37 0.98 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.852 0.358 . . . . 0.0 110.871 -179.743 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 46.2 p -138.81 153.91 48.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.855 -179.796 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 157.86 105.99 0.23 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.528 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.5 t -60.66 106.08 0.52 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.828 0.347 . . . . 0.0 110.844 -179.694 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.7 m -147.61 118.41 7.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.861 -179.815 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -111.64 -62.91 0.48 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.468 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.785 ' HA ' HD22 ' A' ' 77' ' ' LEU . 2.1 mtp -53.53 -74.92 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.758 0.313 . . . . 0.0 110.859 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.76 ' H ' HD12 ' A' ' 9' ' ' ILE . 5.4 mp -47.46 -41.7 7.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.097 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.95 -59.75 4.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.152 179.814 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.419 ' HB3' HD11 ' A' ' 77' ' ' LEU . . . -56.42 -59.7 4.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.107 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 29.1 m-85 -50.08 -46.76 53.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.883 -179.795 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -54.98 -61.5 2.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.915 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 39.6 t-20 -56.02 -57.01 13.94 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.871 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.8 m -48.86 139.27 10.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.865 -179.835 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 88.6 mttt -99.66 151.65 20.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.931 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . 0.419 ' CH2' ' HA ' ' A' ' 19' ' ' PRO . 82.9 t90 -44.17 157.02 0.06 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.928 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -149.75 143.92 17.23 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.639 0.733 . . . . 0.0 110.889 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.419 ' HA ' ' CH2' ' A' ' 17' ' ' TRP . 53.8 Cg_endo -69.74 96.73 0.6 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.634 2.223 . . . . 0.0 112.358 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 5.8 p -129.39 135.65 61.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.111 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 12.8 ttmm -86.22 116.73 24.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.922 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . 0.542 ' CH2' ' HB3' ' A' ' 28' ' ' CYS . 93.3 m95 -80.83 138.38 36.22 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.898 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.476 ' O ' ' CG ' ' A' ' 26' ' ' MET . 2.5 pt-20 -125.28 136.08 53.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.879 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.412 ' C ' ' O ' ' A' ' 23' ' ' GLU . 15.4 m120 -37.15 153.02 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.909 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 38.7 m-20 56.26 50.11 13.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.835 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . 0.476 ' CG ' ' O ' ' A' ' 23' ' ' GLU . 23.9 mmm -121.48 165.24 15.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.842 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 16.8 m170 -117.45 141.48 48.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.876 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.542 ' HB3' ' CH2' ' A' ' 22' ' ' TRP . 7.7 p -164.53 162.28 21.67 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.908 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -101.39 114.07 27.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.091 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.498 ' N ' ' O ' ' A' ' 39' ' ' ARG . 2.3 p -90.41 144.01 10.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.132 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.56 ' HB2' ' CH2' ' A' ' 38' ' ' TRP . 6.3 ttpm? -103.12 135.21 45.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.873 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.529 HD12 ' HB3' ' A' ' 35' ' ' LYS . 4.3 mt -88.7 149.23 4.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.144 179.855 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 15.8 pt20 -87.47 -55.71 3.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.914 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -72.61 -41.86 65.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.863 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.529 ' HB3' HD12 ' A' ' 32' ' ' ILE . 0.0 OUTLIER -78.2 157.84 29.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.858 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.496 ' O ' ' NE2' ' A' ' 37' ' ' GLN . 4.3 m120 -110.66 40.41 2.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.855 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.496 ' NE2' ' O ' ' A' ' 36' ' ' ASN . 5.1 mp0 -134.46 179.42 6.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.902 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . 0.56 ' CH2' ' HB2' ' A' ' 31' ' ' LYS . 43.2 m95 -120.44 117.07 26.74 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.944 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.498 ' O ' ' N ' ' A' ' 30' ' ' VAL . 13.6 mmp_? -104.22 165.82 10.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.884 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 83.1 mtm180 -116.25 144.07 44.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.837 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -136.88 161.28 25.09 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.445 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.463 ' O ' ' N ' ' A' ' 44' ' ' ILE . 34.8 tt0 -107.49 119.35 39.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.795 0.331 . . . . 0.0 110.895 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.45 ' CG1' ' HB2' ' A' ' 26' ' ' MET . 49.4 mm -48.27 89.97 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.129 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.895 HD11 ' HB2' ' A' ' 55' ' ' LEU . 41.5 mt -68.95 -66.89 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.116 179.846 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 9.0 ptm180 -156.08 127.03 6.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.862 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 19.5 mtp -69.94 112.62 6.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.861 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 12.7 t -73.98 -64.33 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.144 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 15.9 p -130.63 -177.02 4.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.144 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 27.8 m-20 -72.91 1.82 8.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.843 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.502 ' O ' HG22 ' A' ' 67' ' ' VAL . 16.8 p -131.06 -31.32 1.7 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.112 -179.884 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 51.6 mt -103.21 154.75 19.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.937 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.764 ' O ' HG23 ' A' ' 64' ' ' VAL . 54.0 t -153.66 133.96 4.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.192 179.854 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.42 ' O ' ' N ' ' A' ' 44' ' ' ILE . 11.1 tt0 -84.34 123.0 29.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.893 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 2.4 m -126.67 160.74 34.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.14 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.895 ' HB2' HD11 ' A' ' 44' ' ' ILE . 8.7 tp -119.65 121.47 39.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.928 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.584 HD12 ' HB ' ' A' ' 61' ' ' VAL . 34.4 mt -77.75 49.3 0.75 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.879 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.432 ' C ' ' O ' ' A' ' 56' ' ' LEU . 50.9 p90 -35.98 -37.35 0.1 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.952 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.498 ' OD1' ' N ' ' A' ' 58' ' ' ASP . 3.1 p-10 -49.92 -49.74 48.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.855 179.888 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.537 HG23 ' N ' ' A' ' 60' ' ' GLY . 35.4 m -99.41 -47.06 12.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.109 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.537 ' N ' HG23 ' A' ' 59' ' ' VAL . . . 116.16 48.16 0.49 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.501 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.584 ' HB ' HD12 ' A' ' 56' ' ' LEU . 38.5 t -135.76 125.04 40.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.788 0.328 . . . . 0.0 111.154 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -89.41 120.9 31.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.916 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -151.19 175.81 11.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.927 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.764 HG23 ' O ' ' A' ' 52' ' ' VAL . 3.6 p -134.42 125.89 47.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.156 179.814 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.451 HG11 HG21 ' A' ' 30' ' ' VAL . 3.9 m -118.43 172.4 5.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.132 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . 0.403 HD22 ' CB ' ' A' ' 68' ' ' ASP . 12.6 t30 -84.91 136.5 33.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.915 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.502 HG22 ' O ' ' A' ' 50' ' ' THR . 15.7 m -46.89 -26.88 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.109 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.403 ' CB ' HD22 ' A' ' 66' ' ' ASN . 32.6 t0 -62.35 -37.55 86.09 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.85 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 17.8 m -80.76 -24.92 38.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.904 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.436 HD12 ' HA ' ' A' ' 67' ' ' VAL . 80.0 mt -67.11 149.7 50.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.929 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 66.6 mmt-85 -139.61 137.6 35.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.921 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 31.1 mtpt -63.94 129.24 39.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.921 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 2.3 tp -85.68 92.71 8.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.923 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.41 ' CD ' ' HG ' ' A' ' 77' ' ' LEU . 10.1 pt-20 -63.09 -178.0 0.2 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.855 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -85.26 -54.84 4.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.914 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -45.35 -58.84 3.02 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.884 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.785 HD22 ' HA ' ' A' ' 8' ' ' MET . 66.7 mt -56.55 -33.67 66.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.954 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 11.7 ttmm -61.17 -44.52 97.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.903 179.839 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 72.0 p -132.53 115.32 15.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.146 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -78.94 168.1 20.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.877 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -161.01 80.47 0.15 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.508 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 11.8 ttp85 -98.62 33.62 2.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.791 0.329 . . . . 0.0 110.868 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -98.76 -57.93 2.07 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.899 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 87.8 p -159.02 113.76 2.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.855 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 9.5 mt . . . . . 0 C--N 1.328 -0.352 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.909 179.975 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.374 0 N-CA-C 112.518 -0.233 . . . . 0.0 112.518 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.7 m -51.63 153.34 2.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.831 0.348 . . . . 0.0 110.874 -179.762 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 95.4 p -79.96 155.11 27.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.839 -179.821 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 161.61 -65.73 0.26 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.529 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 84.8 p -58.82 147.12 34.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.837 0.351 . . . . 0.0 110.878 -179.8 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 66.9 m 39.17 51.21 1.98 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.895 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -55.57 -45.99 82.86 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.488 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.751 ' HA ' HD22 ' A' ' 77' ' ' LEU . 1.8 mtp -57.36 -75.45 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.788 0.328 . . . . 0.0 110.88 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.758 ' H ' HD12 ' A' ' 9' ' ' ILE . 5.3 mp -43.53 -48.27 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.158 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.82 -63.67 1.1 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.095 179.79 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -45.06 -57.75 3.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.109 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 32.1 m-85 -56.26 -43.22 78.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.893 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -53.11 -62.27 1.76 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.89 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -60.94 -42.42 98.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.874 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 49.4 p -53.1 141.94 21.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.82 -179.841 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 8.5 ptpp? -100.6 159.18 15.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.899 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . 0.421 ' NE1' ' HA ' ' A' ' 68' ' ' ASP . 89.1 t90 -63.15 157.82 21.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.901 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -156.76 140.13 11.16 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.629 0.728 . . . . 0.0 110.849 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 94.48 0.53 Allowed 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.676 2.251 . . . . 0.0 112.37 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 3.1 p -128.85 117.16 43.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.111 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.9 tppp? -68.27 117.54 10.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.916 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 88.2 m95 -80.53 119.2 22.88 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.884 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -94.97 155.91 16.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.83 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 5.8 m120 -60.55 141.97 55.94 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.887 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 10.7 t70 70.08 50.42 0.44 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.846 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 36.8 mtp -128.96 168.98 15.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.91 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.819 ' HB3' HD22 ' A' ' 73' ' ' LEU . 13.8 m170 -117.51 141.04 48.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.822 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.417 ' SG ' HD22 ' A' ' 70' ' ' LEU . 25.7 p -153.46 177.56 10.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.894 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -122.42 120.32 33.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.118 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.855 HG21 HG11 ' A' ' 65' ' ' VAL . 5.6 p -94.97 148.58 4.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.155 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.498 ' HB2' ' CH2' ' A' ' 38' ' ' TRP . 44.4 tttt -104.99 112.92 26.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.942 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.519 HG22 ' H ' ' A' ' 35' ' ' LYS . 36.9 mt -71.41 140.77 17.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.104 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -75.35 -74.4 0.21 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.935 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -53.39 -40.96 65.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.858 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.519 ' H ' HG22 ' A' ' 32' ' ' ILE . 7.3 tptt -89.95 154.31 19.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.902 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 7.9 t-20 -107.24 31.41 5.4 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.886 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 -117.92 154.71 31.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.89 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . 0.498 ' CH2' ' HB2' ' A' ' 31' ' ' LYS . 48.2 m95 -107.71 115.23 29.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.904 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.757 ' O ' HG12 ' A' ' 30' ' ' VAL . 31.0 mtm180 -106.01 134.8 48.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.852 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 21.0 ptt180 -81.31 148.89 29.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.9 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -140.21 178.46 19.87 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.477 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 38.0 tt0 -118.6 122.07 41.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.757 0.313 . . . . 0.0 110.972 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 49.0 mm -52.92 92.46 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.142 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.872 HD11 ' HB2' ' A' ' 55' ' ' LEU . 53.9 mt -71.25 -70.02 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.142 179.859 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.425 ' O ' ' CG ' ' A' ' 45' ' ' ARG . 20.5 ptt85 -152.9 122.85 6.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.871 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.663 ' HG2' HG22 ' A' ' 52' ' ' VAL . 33.8 mtp -68.27 117.61 10.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.882 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.649 HG12 HG23 ' A' ' 48' ' ' THR . 43.5 t -78.43 -71.08 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.133 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.649 HG23 HG12 ' A' ' 47' ' ' VAL . 44.6 p -122.91 -175.84 3.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.099 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -75.08 -0.08 17.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.876 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.569 ' O ' HG22 ' A' ' 67' ' ' VAL . 58.9 p -127.61 -27.37 2.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.155 -179.883 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.537 HD23 ' OD1' ' A' ' 66' ' ' ASN . 6.4 mt -108.97 159.65 16.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.875 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.809 ' O ' HG23 ' A' ' 64' ' ' VAL . 20.0 t -158.42 135.83 2.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.14 179.813 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 11.7 tt0 -85.59 123.04 30.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.938 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 2.4 m -124.76 165.92 21.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.147 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.872 ' HB2' HD11 ' A' ' 44' ' ' ILE . 6.9 tp -121.48 120.82 36.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.934 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.466 ' N ' HD12 ' A' ' 55' ' ' LEU . 30.1 mt -79.76 46.59 0.79 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.913 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.44 ' C ' ' O ' ' A' ' 56' ' ' LEU . 30.0 p90 -35.26 -36.22 0.06 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.928 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.434 ' N ' ' CD1' ' A' ' 57' ' ' TYR . 6.5 p-10 -48.69 -49.78 36.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.918 179.857 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.453 HG23 ' N ' ' A' ' 60' ' ' GLY . 35.1 m -100.83 -42.16 9.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.129 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.453 ' N ' HG23 ' A' ' 59' ' ' VAL . . . 112.76 49.16 0.6 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.513 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 43.0 t -137.36 126.69 35.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.816 0.341 . . . . 0.0 111.119 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -92.78 118.61 31.27 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.863 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.446 ' O ' HD23 ' A' ' 63' ' ' LEU . 0.5 OUTLIER -150.04 175.73 11.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.951 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.809 HG23 ' O ' ' A' ' 52' ' ' VAL . 3.5 p -131.54 133.85 61.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.093 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.855 HG11 HG21 ' A' ' 30' ' ' VAL . 5.4 m -125.54 176.64 5.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.126 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . 0.537 ' OD1' HD23 ' A' ' 51' ' ' LEU . 5.5 t30 -88.18 136.74 32.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.875 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.569 HG22 ' O ' ' A' ' 50' ' ' THR . 16.1 m -52.09 -40.57 30.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.127 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.421 ' HA ' ' NE1' ' A' ' 17' ' ' TRP . 0.5 OUTLIER -53.67 -20.03 4.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.885 179.923 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 2.6 m -98.92 -23.42 15.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.873 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.417 HD22 ' SG ' ' A' ' 28' ' ' CYS . 87.2 mt -70.1 156.73 38.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.969 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 3.4 mmp_? -140.66 157.94 44.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.879 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 26.1 mtpp -77.06 117.72 18.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.94 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.819 HD22 ' HB3' ' A' ' 27' ' ' HIS . 2.1 tp -69.26 100.73 1.36 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.963 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 24.2 mm-40 -80.44 149.97 29.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.877 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 25.6 tt0 -55.21 -54.46 43.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.887 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 14.6 p-10 -47.08 -50.27 20.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.902 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.751 HD22 ' HA ' ' A' ' 8' ' ' MET . 51.3 mt -73.51 -23.34 60.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.931 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 21.1 tttt -70.76 -53.2 16.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.876 179.841 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 11.9 t -118.17 130.36 56.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.096 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 10.2 mtt -148.44 134.23 18.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.915 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 63.25 -80.44 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.465 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 17.4 mtt-85 -108.63 144.58 36.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.876 0.37 . . . . 0.0 110.857 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.788 HD23 ' H ' ' A' ' 83' ' ' LEU . 1.3 pt? -82.9 -38.09 23.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.952 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.431 ' N ' ' HG ' ' A' ' 83' ' ' LEU . 54.8 p -130.73 101.23 5.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.886 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.572 HD23 ' H ' ' A' ' 85' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.354 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.872 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.4 m -96.5 -59.87 1.73 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.909 0.385 . . . . 0.0 110.874 -179.778 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.6 t -95.75 79.72 3.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.902 -179.844 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -90.31 168.34 33.56 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.482 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 51.6 m -105.92 -49.04 3.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.901 0.381 . . . . 0.0 110.877 -179.733 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 34.6 p -69.31 -57.12 5.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.849 -179.802 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.49 ' O ' ' HB3' ' A' ' 10' ' ' ALA . . . 58.62 -102.01 0.24 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.481 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.414 ' C ' ' O ' ' A' ' 7' ' ' GLY . 4.0 mtp -36.8 -75.43 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.721 0.296 . . . . 0.0 110.843 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.783 ' H ' HD12 ' A' ' 9' ' ' ILE . 5.4 mp -42.68 -43.25 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.155 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.49 ' HB3' ' O ' ' A' ' 7' ' ' GLY . . . -56.59 -59.66 4.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.085 179.804 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -54.77 -57.27 12.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.157 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.567 ' CD1' ' HB3' ' A' ' 71' ' ' ARG . 40.2 m-85 -51.6 -57.32 9.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.917 -179.881 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 9.6 tm-20 -51.35 -54.68 23.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.853 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 8.8 t30 -54.66 -44.6 73.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.862 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.1 t -64.16 162.3 14.7 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.846 -179.825 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.3 mmmp? -116.35 173.91 6.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.861 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . 0.439 ' CH2' ' HA ' ' A' ' 19' ' ' PRO . 79.8 t90 -55.91 142.99 33.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.945 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 16.8 tp10 -135.08 134.79 21.9 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.628 0.727 . . . . 0.0 110.933 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.439 ' HA ' ' CH2' ' A' ' 17' ' ' TRP . 53.9 Cg_endo -69.72 96.5 0.59 Allowed 'Trans proline' 0 C--O 1.231 0.144 0 C-N-CA 122.744 2.296 . . . . 0.0 112.337 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 4.8 p -135.2 140.14 45.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.105 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 25.2 ttmt -88.62 114.8 25.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.886 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . 0.565 ' CZ3' ' HB3' ' A' ' 28' ' ' CYS . 78.8 m95 -76.08 113.9 14.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.943 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -95.99 158.99 15.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.859 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 8.9 m120 -59.92 157.55 12.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.908 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 46.0 49.48 12.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.918 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . 0.471 ' HB2' ' CG1' ' A' ' 43' ' ' ILE . 39.7 mmm -113.38 172.84 6.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.896 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 13.4 m170 -121.68 139.86 53.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.862 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.565 ' HB3' ' CZ3' ' A' ' 22' ' ' TRP . 24.8 p -162.73 168.99 20.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.846 -179.878 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -111.17 124.25 51.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.057 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.752 HG21 HG11 ' A' ' 65' ' ' VAL . 7.2 p -106.02 154.29 7.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.148 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.438 ' N ' HG22 ' A' ' 30' ' ' VAL . 16.6 ttpp -108.93 121.31 44.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.905 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.448 HG22 ' H ' ' A' ' 35' ' ' LYS . 29.5 mt -68.64 140.72 18.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.146 179.88 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.425 ' HG3' ' N ' ' A' ' 34' ' ' ASP . 27.4 pt20 -81.54 -52.96 6.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.892 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.425 ' N ' ' HG3' ' A' ' 33' ' ' GLN . 18.1 m-20 -61.87 -46.89 87.47 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.865 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.456 ' HD3' ' N ' ' A' ' 35' ' ' LYS . 0.0 OUTLIER -98.41 -178.58 4.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.911 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 14.2 m120 -123.86 36.47 4.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.868 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 72.6 mt-30 -114.95 132.34 56.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.91 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . 0.483 ' CD1' HG23 ' A' ' 9' ' ' ILE . 42.8 m95 -82.55 111.37 18.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.88 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 5.1 mmp_? -104.79 172.15 6.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.877 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -107.0 156.92 18.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.883 -179.905 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -148.54 162.96 28.96 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.492 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.449 ' O ' ' N ' ' A' ' 44' ' ' ILE . 36.6 tt0 -116.75 118.1 31.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.779 0.323 . . . . 0.0 110.892 -179.906 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.471 ' CG1' ' HB2' ' A' ' 26' ' ' MET . 45.7 mm -47.42 91.61 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.148 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.838 HD11 ' HB2' ' A' ' 55' ' ' LEU . 54.1 mt -70.7 -66.67 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.148 179.863 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 6.4 ptm180 -154.96 121.27 5.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.875 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.559 ' HG2' HG22 ' A' ' 52' ' ' VAL . 37.2 mtp -67.77 111.98 4.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.908 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.445 HG12 HG23 ' A' ' 48' ' ' THR . 18.9 t -75.25 -68.56 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.127 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.445 HG23 HG12 ' A' ' 47' ' ' VAL . 75.0 p -125.32 172.59 9.47 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.156 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 66.9 m-20 -58.23 -12.03 3.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.914 179.844 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.483 ' O ' HG22 ' A' ' 67' ' ' VAL . 72.2 p -120.58 -35.36 3.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.169 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 68.4 mt -91.88 146.82 23.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.888 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.78 ' C ' HG23 ' A' ' 64' ' ' VAL . 37.2 t -152.75 130.27 2.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.15 179.835 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.416 ' O ' ' N ' ' A' ' 44' ' ' ILE . 12.8 tt0 -84.32 121.66 27.84 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.902 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.432 HG12 HD13 ' A' ' 43' ' ' ILE . 6.1 m -124.11 156.48 31.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.173 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.838 ' HB2' HD11 ' A' ' 44' ' ' ILE . 11.7 tp -111.85 120.67 42.72 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.918 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.421 ' O ' ' C ' ' A' ' 57' ' ' TYR . 47.8 mt -78.43 49.86 0.89 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.907 179.892 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.421 ' C ' ' O ' ' A' ' 56' ' ' LEU . 39.2 p90 -36.84 -35.52 0.09 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.919 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -50.3 -48.45 55.1 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.843 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.506 HG23 ' N ' ' A' ' 60' ' ' GLY . 33.7 m -101.51 -45.11 11.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.126 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.506 ' N ' HG23 ' A' ' 59' ' ' VAL . . . 114.75 48.24 0.55 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.516 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 43.1 t -136.09 126.25 41.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.791 0.329 . . . . 0.0 111.156 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -91.34 118.92 30.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.883 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -152.23 176.24 11.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.927 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.78 HG23 ' C ' ' A' ' 52' ' ' VAL . 3.5 p -129.66 131.34 66.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.1 179.823 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.752 HG11 HG21 ' A' ' 30' ' ' VAL . 13.6 m -124.12 164.61 22.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.124 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 25.9 t30 -78.45 132.75 37.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.855 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.483 HG22 ' O ' ' A' ' 50' ' ' THR . 19.1 m -49.39 -19.33 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.155 179.893 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -63.88 -37.15 86.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.848 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 7.9 m -85.3 -27.05 26.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.921 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 35.9 mt -61.26 138.79 58.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.927 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.567 ' HB3' ' CD1' ' A' ' 12' ' ' TYR . 51.9 mmt-85 -126.04 144.89 50.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.933 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 36.9 mtmt -71.55 118.78 14.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.932 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 3.6 tp -67.28 96.69 0.5 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.914 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 37.6 mm-40 -64.11 145.74 55.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.86 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -61.68 -26.0 67.75 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.883 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 16.3 t-20 -71.56 -59.75 2.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.889 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 81.0 mt -62.99 -29.94 71.21 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.894 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.428 ' HD2' HG23 ' A' ' 79' ' ' THR . 0.2 OUTLIER -69.3 -45.83 68.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.902 179.855 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.428 HG23 ' HD2' ' A' ' 78' ' ' LYS . 63.0 p -85.88 88.71 7.61 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.098 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 16.6 ttm -136.58 121.65 18.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.912 179.869 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . 0.448 ' O ' ' C ' ' A' ' 82' ' ' ARG . . . 71.11 171.57 11.82 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.495 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.448 ' C ' ' O ' ' A' ' 81' ' ' GLY . 0.0 OUTLIER -34.83 136.93 0.14 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.831 0.348 . . . . 0.0 110.9 -179.877 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.431 ' C ' ' O ' ' A' ' 82' ' ' ARG . 2.3 mm? -36.11 127.72 0.73 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.883 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 4.1 t -107.16 41.33 1.5 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.834 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 9.1 tp . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.903 179.958 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.365 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 80.5 p -55.06 -30.4 59.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.866 0.365 . . . . 0.0 110.869 -179.745 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.2 t -171.09 153.68 3.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.872 -179.83 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 95.39 131.77 6.68 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.483 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.7 t -136.13 108.49 7.34 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.862 0.363 . . . . 0.0 110.842 -179.704 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.7 m -113.65 41.05 2.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.823 -179.788 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -42.28 -35.71 1.9 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.49 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.85 ' HA ' HD22 ' A' ' 77' ' ' LEU . 6.2 mtp -61.61 -71.75 0.14 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.77 0.319 . . . . 0.0 110.913 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.781 ' H ' HD12 ' A' ' 9' ' ' ILE . 4.9 mp -54.42 -44.62 67.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.151 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -56.62 -49.87 73.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.119 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.8 -59.4 4.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.066 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.543 ' OH ' HD12 ' A' ' 73' ' ' LEU . 42.4 m-85 -47.75 -50.63 24.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.986 -179.893 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -60.88 -45.69 93.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.887 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -60.1 -38.11 81.97 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.885 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.2 t -72.63 179.04 3.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.897 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.413 ' O ' ' C ' ' A' ' 17' ' ' TRP . 3.7 mtmp? -136.11 144.62 45.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.892 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . 0.413 ' C ' ' O ' ' A' ' 16' ' ' LYS . 48.5 t90 -37.29 130.33 0.92 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.904 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -122.03 140.32 32.02 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.616 0.722 . . . . 0.0 110.91 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 91.42 0.51 Allowed 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.665 2.244 . . . . 0.0 112.353 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.61 HG21 ' HD3' ' A' ' 72' ' ' LYS . 4.1 p -126.56 137.73 56.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.106 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 22.2 tptp -86.25 110.82 19.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.896 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . 0.546 ' CZ3' ' HB3' ' A' ' 28' ' ' CYS . 82.4 m95 -73.04 123.44 23.54 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.928 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -107.27 156.63 18.66 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.86 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 26.9 t-20 -56.33 144.27 31.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.87 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 4.5 t70 61.66 51.92 3.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.83 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 26.8 mmm -122.8 164.59 18.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.887 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 17.7 m170 -114.55 147.82 38.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.845 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.766 ' SG ' HD22 ' A' ' 70' ' ' LEU . 26.6 p -167.05 157.88 11.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.872 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -97.37 114.94 26.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.118 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.607 HG21 HG11 ' A' ' 65' ' ' VAL . 4.6 p -89.82 149.02 4.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.098 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.529 ' HB2' ' CH2' ' A' ' 38' ' ' TRP . 36.1 tttt -108.66 125.06 51.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.916 179.864 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 39.0 mt -82.64 144.09 10.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.165 179.855 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 16.8 pt20 -91.36 -39.06 12.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.957 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -75.67 -14.71 60.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.894 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 38.1 mmtt -127.06 176.29 7.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.955 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 50.2 t30 -119.84 36.35 4.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.882 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 50.6 mt-30 -116.42 177.38 4.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.921 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . 0.529 ' CH2' ' HB2' ' A' ' 31' ' ' LYS . 52.4 m95 -129.73 111.57 12.78 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.921 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.405 ' O ' ' N ' ' A' ' 30' ' ' VAL . 97.1 mtt180 -105.42 178.21 4.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.83 -179.909 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -116.97 162.57 17.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.847 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -153.1 162.28 30.05 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.488 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 42.6 tt0 -113.1 116.2 29.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.797 0.332 . . . . 0.0 110.932 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 47.4 mm -46.24 96.53 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.096 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.942 HD11 ' HB2' ' A' ' 55' ' ' LEU . 69.6 mt -77.0 -67.65 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.153 179.823 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.424 ' O ' ' CG ' ' A' ' 45' ' ' ARG . 19.6 ptt180 -154.11 121.28 5.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 49.6 mtp -68.04 112.52 5.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.883 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.65 HG12 HG23 ' A' ' 48' ' ' THR . 78.4 t -73.7 -66.97 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.156 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.65 HG23 HG12 ' A' ' 47' ' ' VAL . 46.7 p -125.0 173.55 8.6 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.117 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 69.9 m-20 -61.35 -9.08 4.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.892 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.634 ' O ' HG22 ' A' ' 67' ' ' VAL . 15.4 p -121.73 -34.24 3.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.123 -179.9 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.446 ' O ' HG23 ' A' ' 52' ' ' VAL . 35.7 mt -95.33 154.42 17.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.904 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.768 ' C ' HG23 ' A' ' 64' ' ' VAL . 47.6 t -157.21 132.24 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.18 179.821 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 16.3 tt0 -84.31 122.68 29.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.886 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 4.8 m -124.43 162.71 25.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.117 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.942 ' HB2' HD11 ' A' ' 44' ' ' ILE . 12.4 tp -119.5 121.01 38.46 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.911 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.599 HD12 ' HB ' ' A' ' 61' ' ' VAL . 33.3 mt -77.32 47.84 0.59 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.904 179.885 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.45 ' C ' ' O ' ' A' ' 56' ' ' LEU . 47.7 p90 -34.33 -38.9 0.07 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.909 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -48.27 -51.43 25.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.869 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.512 HG23 ' N ' ' A' ' 60' ' ' GLY . 34.1 m -97.56 -45.66 12.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.121 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.512 ' N ' HG23 ' A' ' 59' ' ' VAL . . . 114.56 48.07 0.56 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.427 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.599 ' HB ' HD12 ' A' ' 56' ' ' LEU . 40.3 t -136.11 125.76 39.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.786 0.327 . . . . 0.0 111.165 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 -89.11 120.6 30.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.85 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.401 HD22 ' HG ' ' A' ' 56' ' ' LEU . 1.0 OUTLIER -150.66 176.49 10.96 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.956 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.768 HG23 ' C ' ' A' ' 52' ' ' VAL . 4.1 p -134.51 125.77 47.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.161 179.816 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.607 HG11 HG21 ' A' ' 30' ' ' VAL . 6.3 m -120.07 168.14 12.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.114 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 35.9 t30 -82.07 134.11 35.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.89 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.634 HG22 ' O ' ' A' ' 50' ' ' THR . 15.6 m -47.18 -29.16 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.152 179.878 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 15.0 t0 -58.09 -37.26 74.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.906 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 5.6 m -80.47 -34.24 36.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.888 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.766 HD22 ' SG ' ' A' ' 28' ' ' CYS . 61.4 mt -57.06 150.95 16.05 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.945 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 12.2 mmt85 -142.9 149.35 38.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.888 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.61 ' HD3' HG21 ' A' ' 20' ' ' VAL . 1.7 mmmm -66.78 132.92 49.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.906 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.543 HD12 ' OH ' ' A' ' 12' ' ' TYR . 3.7 tp -93.4 93.2 8.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -69.6 160.61 31.22 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.873 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -68.66 -38.44 80.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.843 -179.878 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 5.7 m-20 -46.12 -58.24 3.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.895 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.85 HD22 ' HA ' ' A' ' 8' ' ' MET . 11.9 mt -62.73 -34.33 76.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.924 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 21.4 ttpt -54.53 -48.37 72.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.908 179.838 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 61.3 p -92.29 52.0 1.87 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.113 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 27.4 ttp -157.28 143.6 17.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.868 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 86.6 -140.36 17.23 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.497 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.575 ' HE ' ' N ' ' A' ' 83' ' ' LEU . 0.0 OUTLIER -86.54 111.73 20.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.896 0.379 . . . . 0.0 110.874 -179.866 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.575 ' N ' ' HE ' ' A' ' 82' ' ' ARG . 2.0 pt? -142.82 129.31 20.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.96 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 26.4 m -80.03 82.14 6.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.877 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.496 HD23 ' C ' ' A' ' 85' ' ' LEU . 2.3 tt . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.928 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 27.8 m -53.53 -47.87 69.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.84 0.352 . . . . 0.0 110.847 -179.742 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.9 m -156.29 109.38 2.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.861 -179.838 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -80.24 59.49 4.57 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.529 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 42.6 p -55.8 -40.87 73.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.855 0.359 . . . . 0.0 110.869 -179.748 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 35.1 m -127.35 105.86 8.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.83 -179.844 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -114.3 -46.13 0.65 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.466 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 3.2 mtp -66.91 -72.64 0.16 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.738 0.304 . . . . 0.0 110.858 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.694 ' H ' HD12 ' A' ' 9' ' ' ILE . 5.2 mp -49.26 -42.19 15.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.115 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.06 -59.49 4.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.071 179.829 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -52.18 -54.74 27.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.133 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 35.4 m-85 -57.05 -55.77 30.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.883 -179.831 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -47.21 -61.81 1.72 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.892 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -52.06 -47.23 65.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.936 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.0 m -63.45 143.07 58.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.889 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 15.0 ptpt -90.84 158.06 17.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.869 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . 0.506 ' CG ' ' N ' ' A' ' 18' ' ' GLU . 84.5 t90 -47.8 168.14 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.923 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.506 ' N ' ' CG ' ' A' ' 17' ' ' TRP . 7.3 tp10 -156.58 136.37 8.45 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.662 0.744 . . . . 0.0 110.859 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 100.86 0.85 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.702 2.268 . . . . 0.0 112.308 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 1.7 p -132.81 122.02 45.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.141 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 32.5 tttt -68.23 107.05 2.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.928 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . 0.506 ' CZ3' ' HB3' ' A' ' 28' ' ' CYS . 66.7 m95 -70.92 111.07 6.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.927 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -90.38 155.05 19.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.942 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.488 HD22 ' N ' ' A' ' 25' ' ' ASP . 0.4 OUTLIER -58.68 156.38 11.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.889 -179.917 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.488 ' N ' HD22 ' A' ' 24' ' ' ASN . 0.5 OUTLIER 47.71 52.21 12.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.844 179.873 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . 0.463 ' HB2' ' CG1' ' A' ' 43' ' ' ILE . 27.2 mmm -118.47 174.29 6.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.895 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 19.1 m170 -119.82 140.68 50.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.878 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.506 ' HB3' ' CZ3' ' A' ' 22' ' ' TRP . 24.8 p -161.88 168.63 22.68 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.864 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -112.66 119.32 37.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.122 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.958 HG21 HG11 ' A' ' 65' ' ' VAL . 12.6 p -99.57 154.57 4.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.116 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.422 ' N ' HG22 ' A' ' 30' ' ' VAL . 13.7 ttpp -111.92 125.68 54.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.866 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.647 HG22 ' H ' ' A' ' 35' ' ' LYS . 63.7 mt -78.71 138.0 20.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.147 179.843 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.409 ' HG3' ' N ' ' A' ' 34' ' ' ASP . 28.1 pt20 -81.18 -46.16 15.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.905 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.409 ' N ' ' HG3' ' A' ' 33' ' ' GLN . 19.5 t0 -62.55 -39.14 92.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.837 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.647 ' H ' HG22 ' A' ' 32' ' ' ILE . 12.0 mptt -108.31 -177.06 3.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.885 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -125.96 40.7 3.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.928 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -125.44 137.56 53.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.899 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 56.0 m95 -84.75 124.8 31.95 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.932 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.403 ' CZ ' HG11 ' A' ' 59' ' ' VAL . 56.1 mtt180 -111.34 179.98 3.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.892 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 89.5 mtm180 -118.14 142.58 47.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.86 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -142.68 148.64 20.43 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.524 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.465 ' O ' ' N ' ' A' ' 44' ' ' ILE . 48.9 tt0 -100.38 117.71 35.13 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.768 0.318 . . . . 0.0 110.906 -179.832 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.463 ' CG1' ' HB2' ' A' ' 26' ' ' MET . 47.1 mm -44.24 91.81 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.158 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.756 HD11 ' HB2' ' A' ' 55' ' ' LEU . 32.0 mt -68.32 -64.18 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.161 179.821 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.402 ' HB2' ' NH1' ' A' ' 45' ' ' ARG . 0.2 OUTLIER -158.77 125.7 4.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.88 179.948 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.639 ' HG2' HG22 ' A' ' 52' ' ' VAL . 14.0 mtp -68.53 107.81 3.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.895 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 11.2 t -71.48 -68.7 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.128 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.3 p -129.18 -177.47 4.25 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.147 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -72.5 -6.33 43.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.844 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 48.0 p -125.52 -13.61 6.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.111 -179.84 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 74.7 mt -121.19 152.61 38.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.893 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.773 ' C ' HG23 ' A' ' 64' ' ' VAL . 19.9 t -154.91 133.08 2.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.13 179.851 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.42 ' O ' ' N ' ' A' ' 44' ' ' ILE . 12.7 tt0 -84.29 125.11 31.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.926 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -126.13 158.07 35.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.102 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.85 HD13 ' HG3' ' A' ' 62' ' ' GLU . 3.5 tp -115.73 119.66 36.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.955 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.566 HD12 ' HB ' ' A' ' 61' ' ' VAL . 66.2 mt -75.74 48.97 0.49 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.944 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.429 ' C ' ' O ' ' A' ' 56' ' ' LEU . 40.5 p90 -36.24 -30.39 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.926 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.491 ' N ' ' O ' ' A' ' 56' ' ' LEU . 10.6 p-10 -55.26 -49.38 72.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.837 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.434 HG23 ' N ' ' A' ' 60' ' ' GLY . 35.6 m -101.82 -40.9 7.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.108 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.434 ' N ' HG23 ' A' ' 59' ' ' VAL . . . 116.14 34.51 1.34 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.513 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.566 ' HB ' HD12 ' A' ' 56' ' ' LEU . 41.2 t -125.69 124.11 65.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.817 0.341 . . . . 0.0 111.122 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.85 ' HG3' HD13 ' A' ' 55' ' ' LEU . 7.3 mp0 -95.19 117.2 29.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.862 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -143.83 168.77 19.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.903 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.773 HG23 ' C ' ' A' ' 52' ' ' VAL . 4.8 p -119.98 127.94 75.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.163 179.831 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.958 HG11 HG21 ' A' ' 30' ' ' VAL . 4.6 m -120.58 172.01 8.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.145 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 3.9 t30 -82.7 130.68 35.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.885 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 13.4 m -46.44 -29.49 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.098 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.4 ' OD1' ' C ' ' A' ' 68' ' ' ASP . 6.3 t0 -52.43 -37.98 58.06 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.859 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 9.1 m -86.68 -27.99 23.42 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.873 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 32.2 mt -62.22 134.78 56.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.909 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 48.5 mmm-85 -135.28 149.97 49.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.882 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 44.5 mtmt -67.0 135.05 53.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.903 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 3.2 tp -87.57 94.86 9.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.918 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 38.0 mm-40 -52.3 166.25 0.19 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.881 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -78.95 -56.72 4.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.909 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 8.0 m-20 -52.47 -57.4 10.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.929 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 68.9 mt -52.56 -40.49 62.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.929 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 25.5 ttmt -59.81 -49.39 77.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.893 179.843 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 60.3 p -118.76 80.93 1.61 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.132 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 7.9 ptm -119.23 132.69 55.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.88 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -93.13 89.01 1.3 Allowed Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.498 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 7.9 tpt180 -131.62 148.71 52.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.833 0.349 . . . . 0.0 110.895 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -132.24 149.2 52.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.934 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 54.4 p -116.02 99.86 7.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.835 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.921 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.456 -0.257 . . . . 0.0 112.456 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.4 m -70.74 162.27 29.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.875 0.369 . . . . 0.0 110.874 -179.726 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.6 m -116.51 -51.61 2.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.858 -179.836 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -140.24 -140.88 3.95 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.484 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.9 t -74.94 93.1 2.63 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.867 0.365 . . . . 0.0 110.867 -179.755 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.3 t -90.35 -50.51 5.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.859 -179.823 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.593 ' O ' ' HB3' ' A' ' 10' ' ' ALA . . . 62.22 -99.08 0.22 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.501 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.53 ' HA ' HD22 ' A' ' 77' ' ' LEU . 1.9 mtp -36.36 -75.34 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.717 0.294 . . . . 0.0 110.85 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.76 ' H ' HD12 ' A' ' 9' ' ' ILE . 5.1 mp -44.8 -38.92 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.099 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.593 ' HB3' ' O ' ' A' ' 7' ' ' GLY . . . -57.11 -60.88 2.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.121 179.808 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -56.99 -55.27 36.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.123 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 30.8 m-85 -51.0 -54.02 28.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.955 -179.868 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -57.85 -52.7 64.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.891 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 5.8 t30 -53.41 -42.63 67.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.883 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 7.3 t -67.57 158.49 31.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.86 -179.868 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 42.3 mttp -109.58 175.26 5.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.882 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 80.7 t90 -63.88 142.64 58.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.975 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -139.77 131.6 14.77 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.645 0.736 . . . . 0.0 110.887 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 100.34 0.82 Allowed 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.661 2.241 . . . . 0.0 112.287 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.415 HG13 ' O ' ' A' ' 20' ' ' VAL . 2.7 p -134.82 111.97 14.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.093 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 19.1 ttmt -60.52 93.3 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.905 179.858 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . 0.518 ' CZ3' ' HB3' ' A' ' 28' ' ' CYS . 92.1 m95 -57.59 119.39 6.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.935 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.716 ' O ' HG21 ' A' ' 43' ' ' ILE . 42.5 mt-10 -96.11 174.53 6.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.87 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.432 ' O ' ' CG ' ' A' ' 25' ' ' ASP . 26.6 t-20 -74.17 160.3 31.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.892 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.432 ' CG ' ' O ' ' A' ' 24' ' ' ASN . 2.2 p30 46.11 50.7 11.6 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.837 179.889 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 25.1 mtp -119.79 175.43 5.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.902 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.802 ' HB3' HD22 ' A' ' 73' ' ' LEU . 10.9 m170 -122.84 138.0 54.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.865 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.518 ' HB3' ' CZ3' ' A' ' 22' ' ' TRP . 25.8 p -158.61 161.75 37.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.876 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -106.25 134.51 49.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.106 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.804 HG21 HG11 ' A' ' 65' ' ' VAL . 4.0 p -116.06 157.12 17.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.107 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.544 ' HB2' ' CZ2' ' A' ' 38' ' ' TRP . 17.0 ttpp -103.22 133.96 47.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.931 179.876 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 10.5 mt -89.01 143.49 11.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.144 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 17.9 mt-30 -79.75 -62.87 1.55 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.9 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -53.21 -46.0 68.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.853 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 8.9 mmtp -98.3 -179.91 4.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.883 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 80.5 m-20 -123.86 36.13 4.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.906 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -112.06 -175.4 2.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.875 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . 0.544 ' CZ2' ' HB2' ' A' ' 31' ' ' LYS . 30.6 m95 -135.59 111.93 9.81 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.931 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.709 ' O ' HG12 ' A' ' 30' ' ' VAL . 10.8 mtt85 -106.85 135.88 47.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.861 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 3.2 ptp85 -80.49 141.49 35.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.877 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -129.63 171.85 20.11 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.459 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.443 ' O ' ' N ' ' A' ' 44' ' ' ILE . 12.7 tt0 -108.33 120.57 42.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.806 0.336 . . . . 0.0 110.894 -179.882 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.716 HG21 ' O ' ' A' ' 23' ' ' GLU . 44.6 mm -52.57 88.33 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.159 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.825 HD11 ' HB2' ' A' ' 55' ' ' LEU . 54.9 mt -65.79 -69.44 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.15 179.885 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 6.9 ptm180 -156.47 123.87 5.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.869 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.556 ' HG2' HG22 ' A' ' 52' ' ' VAL . 39.6 mtp -67.81 108.41 2.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.851 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.601 HG12 HG23 ' A' ' 48' ' ' THR . 44.2 t -66.75 -67.69 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.114 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.601 HG23 HG12 ' A' ' 47' ' ' VAL . 32.4 p -125.16 -177.09 3.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.138 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -74.44 -1.1 19.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.894 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.575 ' O ' HG22 ' A' ' 67' ' ' VAL . 0.9 OUTLIER -125.78 -26.42 3.49 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.132 -179.905 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.599 HD23 ' OD1' ' A' ' 66' ' ' ASN . 3.1 mt -111.12 158.53 18.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.901 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.799 ' O ' HG23 ' A' ' 64' ' ' VAL . 39.5 t -154.21 134.94 4.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.089 179.82 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -84.85 121.41 27.68 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.888 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 2.1 m -124.01 158.78 30.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.1 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.825 ' HB2' HD11 ' A' ' 44' ' ' ILE . 6.6 tp -116.57 120.16 37.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.915 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.453 ' N ' HD12 ' A' ' 55' ' ' LEU . 29.3 mt -78.31 46.75 0.64 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.951 179.849 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.444 ' C ' ' O ' ' A' ' 56' ' ' LEU . 36.7 p90 -33.95 -36.81 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.972 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.433 ' N ' ' O ' ' A' ' 56' ' ' LEU . 2.0 p-10 -49.37 -53.82 20.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.882 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.457 HG23 ' N ' ' A' ' 60' ' ' GLY . 34.4 m -95.45 -42.31 12.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.156 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.457 ' N ' HG23 ' A' ' 59' ' ' VAL . . . 111.85 49.38 0.63 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.498 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 41.5 t -137.67 126.02 32.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.815 0.341 . . . . 0.0 111.096 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -92.18 119.52 31.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.885 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -151.19 174.46 13.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.874 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.799 HG23 ' O ' ' A' ' 52' ' ' VAL . 3.5 p -132.46 128.17 57.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.1 179.851 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.804 HG11 HG21 ' A' ' 30' ' ' VAL . 4.9 m -118.49 171.9 6.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.136 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . 0.599 ' OD1' HD23 ' A' ' 51' ' ' LEU . 15.3 t30 -84.63 133.62 34.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.886 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.575 HG22 ' O ' ' A' ' 50' ' ' THR . 27.7 m -47.32 -21.22 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.102 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 83.6 m-20 -61.93 -38.05 87.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.844 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 5.2 m -85.84 -25.81 26.04 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.935 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.401 ' O ' ' CZ ' ' A' ' 71' ' ' ARG . 56.8 mt -62.97 139.02 58.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.906 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.401 ' CZ ' ' O ' ' A' ' 70' ' ' LEU . 10.4 mmp_? -134.64 153.87 51.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.84 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 6.0 mtpm? -69.74 117.96 11.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.873 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.802 HD22 ' HB3' ' A' ' 27' ' ' HIS . 4.9 tp -67.5 97.38 0.58 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.971 179.876 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 29.9 mm-40 -62.21 159.45 14.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.88 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 15.8 tt0 -73.94 -48.97 26.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.901 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -49.92 -54.43 19.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.886 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.53 HD22 ' HA ' ' A' ' 8' ' ' MET . 90.3 mt -58.93 -34.18 71.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.919 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 22.6 ttpt -61.6 -51.57 67.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.946 179.836 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 73.3 p -68.91 -40.16 79.28 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.164 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 14.4 tmm? -54.61 -48.49 72.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.89 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -60.95 -91.85 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.713 -0.755 . . . . 0.0 112.477 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.475 ' CZ ' ' HB2' ' A' ' 82' ' ' ARG . 21.5 ttm105 -140.2 147.14 39.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.815 0.341 . . . . 0.0 110.88 -179.815 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.511 HD12 ' CD1' ' A' ' 85' ' ' LEU . 4.5 mm? -57.59 147.4 27.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.924 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 77.0 p -125.77 40.57 3.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.908 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.511 ' CD1' HD12 ' A' ' 83' ' ' LEU . 3.0 mp . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.931 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.359 0 N-CA-C 112.509 -0.236 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.9 m -69.22 105.94 2.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.816 0.341 . . . . 0.0 110.875 -179.74 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 64.9 m -75.2 -48.37 23.82 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.838 -179.78 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -157.88 91.18 0.12 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.506 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.3 m -110.83 138.57 47.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.893 0.378 . . . . 0.0 110.878 -179.727 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 35.0 m -97.42 105.82 18.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.848 -179.787 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -113.2 -47.64 0.64 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.5 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.658 ' HA ' HD22 ' A' ' 77' ' ' LEU . 1.3 mtt -61.99 -74.66 0.08 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.773 0.32 . . . . 0.0 110.907 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.673 ' H ' HD12 ' A' ' 9' ' ' ILE . 5.3 mp -52.63 -50.39 41.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.13 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -46.94 -53.35 12.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.1 179.842 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -67.14 -62.75 1.27 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.112 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.504 ' CZ ' ' CD1' ' A' ' 77' ' ' LEU . 22.2 m-85 -43.24 -36.73 1.88 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.898 -179.858 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -74.56 -47.36 33.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.874 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.426 ' OD1' ' C ' ' A' ' 14' ' ' ASN . 2.7 t30 -58.49 -42.36 87.43 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.898 -179.904 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 10.8 t -68.52 -176.77 0.82 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.881 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.448 ' HD3' ' N ' ' A' ' 16' ' ' LYS . 0.7 OUTLIER -146.08 171.78 14.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.879 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 74.5 t90 -39.93 152.6 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.927 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -157.84 137.0 8.17 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.632 0.73 . . . . 0.0 110.872 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 100.08 0.79 Allowed 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.723 2.282 . . . . 0.0 112.333 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 7.1 p -134.35 128.36 51.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.11 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 21.9 tptm -79.24 114.86 18.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.885 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . 0.511 ' CZ3' ' HB3' ' A' ' 28' ' ' CYS . 78.2 m95 -80.86 123.38 28.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.932 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 55.1 mm-40 -106.65 159.12 16.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.901 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 21.3 m120 -60.35 151.0 28.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.896 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 54.38 51.53 14.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.903 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 26.0 mmm -119.81 166.92 12.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.874 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 24.1 m170 -118.75 132.17 56.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.892 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.511 ' HB3' ' CZ3' ' A' ' 22' ' ' TRP . 26.7 p -151.26 165.68 33.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.853 -179.895 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -104.16 113.28 26.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.114 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.587 HG21 HG11 ' A' ' 65' ' ' VAL . 7.0 p -96.38 139.66 18.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.119 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.558 ' HB2' ' CH2' ' A' ' 38' ' ' TRP . 38.0 ttpt -98.8 133.02 43.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.886 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.541 HG22 ' H ' ' A' ' 35' ' ' LYS . 17.5 mt -79.97 145.8 8.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.154 179.862 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 12.3 pt20 -91.11 -39.44 12.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.873 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -75.55 -39.73 57.83 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.879 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.541 ' H ' HG22 ' A' ' 32' ' ' ILE . 12.5 mtmm -99.12 179.87 4.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.89 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -123.45 41.22 3.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.911 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 82.4 mt-30 -121.08 179.32 4.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.884 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . 0.558 ' CH2' ' HB2' ' A' ' 31' ' ' LYS . 57.1 m95 -124.93 117.4 23.98 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.941 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.407 ' O ' ' N ' ' A' ' 30' ' ' VAL . 97.1 mtt180 -114.75 163.89 14.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.861 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 1.2 mpp_? -106.4 151.74 24.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.88 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -141.65 159.47 26.84 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.45 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.476 ' O ' ' N ' ' A' ' 44' ' ' ILE . 40.8 tt0 -108.33 115.63 30.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.748 0.309 . . . . 0.0 110.895 -179.864 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 50.0 mm -45.5 91.01 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.106 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.714 HD11 ' HB2' ' A' ' 55' ' ' LEU . 22.3 mt -68.94 -63.97 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.12 179.853 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.4 ' O ' ' CG ' ' A' ' 45' ' ' ARG . 15.5 ptt180 -162.57 125.1 2.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.866 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 23.9 mtp -65.31 111.27 2.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.885 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.651 HG12 HG23 ' A' ' 48' ' ' THR . 48.2 t -74.23 -66.25 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.109 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.651 HG23 HG12 ' A' ' 47' ' ' VAL . 29.7 p -127.26 -178.51 4.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.112 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -71.48 -2.92 18.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.886 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.589 ' O ' HG22 ' A' ' 67' ' ' VAL . 46.1 p -128.23 -28.73 2.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.164 -179.883 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 62.0 mt -104.79 150.28 24.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.908 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.713 ' O ' HG23 ' A' ' 64' ' ' VAL . 34.7 t -148.9 134.86 12.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.114 179.838 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.437 ' O ' ' N ' ' A' ' 44' ' ' ILE . 10.5 tt0 -84.43 122.13 28.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.892 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 2.6 m -126.13 158.23 35.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.121 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.714 ' HB2' HD11 ' A' ' 44' ' ' ILE . 7.9 tp -115.59 122.16 44.81 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.889 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.532 HD12 ' HB ' ' A' ' 61' ' ' VAL . 35.3 mt -78.61 49.26 0.86 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.95 179.869 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.431 ' C ' ' O ' ' A' ' 56' ' ' LEU . 42.4 p90 -36.14 -34.94 0.06 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.901 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.406 ' N ' ' O ' ' A' ' 56' ' ' LEU . 4.4 p-10 -51.27 -49.54 61.02 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.865 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.497 HG23 ' N ' ' A' ' 60' ' ' GLY . 34.2 m -101.11 -44.78 11.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.176 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.497 ' N ' HG23 ' A' ' 59' ' ' VAL . . . 113.47 52.55 0.48 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.512 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.532 ' HB ' HD12 ' A' ' 56' ' ' LEU . 44.9 t -139.85 126.37 22.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.782 0.325 . . . . 0.0 111.143 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 -89.02 119.82 29.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.894 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -150.08 176.27 10.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.9 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.713 HG23 ' O ' ' A' ' 52' ' ' VAL . 2.6 p -135.33 130.34 50.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.187 179.796 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.587 HG11 HG21 ' A' ' 30' ' ' VAL . 8.2 m -122.97 174.52 7.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.144 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 9.5 t30 -85.94 134.93 33.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.956 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.589 HG22 ' O ' ' A' ' 50' ' ' THR . 4.0 m -46.59 -32.25 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.09 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -58.84 -36.35 74.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.836 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 4.9 m -79.15 -30.62 43.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.903 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.531 HD12 ' HA ' ' A' ' 67' ' ' VAL . 96.3 mt -63.13 157.53 22.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.944 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.448 ' HG3' ' CH2' ' A' ' 38' ' ' TRP . 15.3 mmt85 -141.93 152.2 43.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.906 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 19.1 mtpp -77.04 123.55 26.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.867 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 4.9 tp -76.89 115.81 17.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.929 179.874 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 52.7 mt-10 -81.48 164.38 22.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.899 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 -72.52 -35.02 67.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.876 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 35.0 m-20 -64.79 -56.34 14.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.875 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.658 HD22 ' HA ' ' A' ' 8' ' ' MET . 61.0 mt -59.3 -23.65 62.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.931 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 19.8 mtpp -71.52 -49.98 35.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.876 179.867 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.432 ' O ' ' C ' ' A' ' 80' ' ' MET . 70.2 p -62.99 -47.19 84.2 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.105 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . 0.432 ' C ' ' O ' ' A' ' 79' ' ' THR . 22.0 ttm -35.75 -52.51 0.7 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.831 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -68.21 117.02 8.08 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.483 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 5.4 tpt180 -152.72 133.45 13.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.855 0.36 . . . . 0.0 110.894 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 14.9 mt -84.68 144.24 28.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.903 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 19.3 m -86.34 86.97 7.35 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.871 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 5.7 tt . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.9 -179.992 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.281 0 N-CA-C 112.471 -0.251 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 89.1 p -92.3 -42.76 9.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.906 0.384 . . . . 0.0 110.882 -179.739 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.7 m 50.71 41.09 25.64 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.841 -179.84 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -79.05 -142.87 2.4 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.498 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 75.6 m -68.11 156.6 37.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.915 0.388 . . . . 0.0 110.837 -179.785 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 93.9 p -161.68 112.82 1.69 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.864 -179.857 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -115.15 -66.77 0.42 Allowed Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.532 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.474 ' CE ' ' HD2' ' A' ' 40' ' ' ARG . 3.6 mtp -49.98 -75.42 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.74 0.305 . . . . 0.0 110.919 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.745 ' H ' HD12 ' A' ' 9' ' ' ILE . 5.3 mp -44.46 -45.28 2.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.131 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -52.81 -63.46 1.14 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.093 179.787 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -54.85 -57.18 12.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.084 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.523 ' HB3' ' CE2' ' A' ' 38' ' ' TRP . 30.7 m-85 -47.74 -61.12 2.1 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.9 -179.84 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -49.48 -44.63 46.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.946 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -59.63 -43.48 93.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.877 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.1 t -69.22 173.93 5.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.875 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.444 ' O ' ' NH2' ' A' ' 71' ' ' ARG . 52.5 mttm -129.29 172.47 11.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.911 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . 0.419 ' CG ' ' N ' ' A' ' 18' ' ' GLU . 78.8 t90 -54.92 169.58 0.22 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.953 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.419 ' N ' ' CG ' ' A' ' 17' ' ' TRP . 4.7 tp10 -165.91 131.67 1.96 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.616 0.722 . . . . 0.0 110.878 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 97.81 0.65 Allowed 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.712 2.275 . . . . 0.0 112.354 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 2.7 p -133.02 132.04 58.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.127 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 14.1 ttmm -75.24 108.43 8.0 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.909 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . 0.52 ' CZ3' ' HB3' ' A' ' 28' ' ' CYS . 69.1 m95 -70.66 116.58 11.15 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.929 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.683 ' O ' HG21 ' A' ' 43' ' ' ILE . 28.0 mt-10 -96.83 167.87 10.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.92 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.422 ' O ' ' C ' ' A' ' 25' ' ' ASP . 23.7 m120 -65.95 165.49 13.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.88 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.422 ' C ' ' O ' ' A' ' 24' ' ' ASN . 5.7 m-20 35.93 53.73 0.9 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.876 179.88 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 30.8 mmm -118.5 162.92 17.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.864 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.526 ' HB3' HD22 ' A' ' 73' ' ' LEU . 6.3 m170 -109.72 135.42 50.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.851 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.52 ' HB3' ' CZ3' ' A' ' 22' ' ' TRP . 25.8 p -159.45 161.06 35.42 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.887 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -110.53 123.08 49.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.1 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.582 HG21 HG11 ' A' ' 65' ' ' VAL . 2.5 p -98.28 131.87 44.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.119 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 34.0 ttpt -95.27 131.42 41.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.938 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 19.0 mt -79.44 144.62 10.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.148 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.427 ' HG2' ' N ' ' A' ' 34' ' ' ASP . 4.9 pm0 -94.33 -30.32 14.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.427 ' N ' ' HG2' ' A' ' 33' ' ' GLN . 56.1 m-20 -85.83 -2.26 58.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.861 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 26.5 mmmt -143.13 -179.47 6.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.944 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 27.7 m-80 -119.09 28.94 7.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.899 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.478 ' NE2' ' NH1' ' A' ' 39' ' ' ARG . 0.2 OUTLIER -114.77 136.29 53.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.92 -179.959 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . 0.523 ' CE2' ' HB3' ' A' ' 12' ' ' TYR . 16.3 m95 -87.53 119.25 27.63 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.886 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.478 ' NH1' ' NE2' ' A' ' 37' ' ' GLN . 21.0 mmt-85 -104.01 155.83 18.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.845 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.474 ' HD2' ' CE ' ' A' ' 8' ' ' MET . 2.0 mpp_? -101.93 152.36 21.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.879 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -151.97 154.34 25.48 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.483 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.46 ' O ' ' N ' ' A' ' 44' ' ' ILE . 56.2 tt0 -109.6 114.71 28.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.741 0.305 . . . . 0.0 110.917 -179.848 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.683 HG21 ' O ' ' A' ' 23' ' ' GLU . 49.8 mm -42.56 93.27 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.143 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.871 HD11 ' HB2' ' A' ' 55' ' ' LEU . 53.1 mt -72.1 -68.07 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.142 179.837 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 5.2 ptm180 -156.72 127.52 6.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.876 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.539 ' HG2' HG22 ' A' ' 52' ' ' VAL . 16.7 mtp -69.81 119.68 14.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.905 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.531 HG12 HG23 ' A' ' 48' ' ' THR . 43.5 t -84.68 -63.19 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.152 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.531 HG23 HG12 ' A' ' 47' ' ' VAL . 18.1 p -127.94 -176.13 3.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.153 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -74.94 -5.2 42.53 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.856 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.425 ' O ' HG22 ' A' ' 67' ' ' VAL . 42.7 p -125.36 -26.61 3.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.106 -179.85 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.431 ' O ' HG23 ' A' ' 52' ' ' VAL . 96.1 mt -104.87 155.69 18.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.903 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.806 ' O ' HG23 ' A' ' 64' ' ' VAL . 20.6 t -156.15 133.4 2.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.142 179.792 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -84.3 122.65 29.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.903 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 2.8 m -125.98 158.69 35.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.095 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.871 ' HB2' HD11 ' A' ' 44' ' ' ILE . 6.9 tp -117.24 120.13 37.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.917 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.667 HD12 ' HB ' ' A' ' 61' ' ' VAL . 24.4 mt -76.94 47.76 0.54 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.927 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.436 ' C ' ' O ' ' A' ' 56' ' ' LEU . 53.0 p90 -35.72 -35.26 0.06 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.931 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.407 ' N ' ' O ' ' A' ' 56' ' ' LEU . 1.1 t70 -51.36 -49.37 61.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.879 179.897 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.491 HG23 ' N ' ' A' ' 60' ' ' GLY . 34.5 m -99.79 -44.52 11.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.148 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.491 ' N ' HG23 ' A' ' 59' ' ' VAL . . . 115.55 44.01 0.67 Allowed Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.478 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.667 ' HB ' HD12 ' A' ' 56' ' ' LEU . 41.1 t -133.09 124.64 50.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.834 0.35 . . . . 0.0 111.117 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -91.88 118.93 31.19 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.877 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -150.52 173.25 14.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.917 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.806 HG23 ' O ' ' A' ' 52' ' ' VAL . 4.1 p -129.08 128.99 67.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.126 179.842 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.582 HG11 HG21 ' A' ' 30' ' ' VAL . 6.3 m -122.03 171.85 10.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.092 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 11.6 t30 -81.8 136.6 35.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.857 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.425 HG22 ' O ' ' A' ' 50' ' ' THR . 24.9 m -50.51 -30.07 7.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.107 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 30.3 t0 -53.07 -39.16 63.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.868 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 21.7 m -84.78 -24.28 28.81 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.914 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.426 HD23 ' HA ' ' A' ' 70' ' ' LEU . 18.0 mt -63.79 133.1 52.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.884 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.444 ' NH2' ' O ' ' A' ' 16' ' ' LYS . 7.8 tpt85 -129.25 154.69 46.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.842 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 26.3 mtmm -71.67 141.81 49.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.892 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.526 HD22 ' HB3' ' A' ' 27' ' ' HIS . 2.5 tp -88.49 101.5 13.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.908 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 33.6 mm-40 -59.0 130.43 47.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.878 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.437 ' O ' HG22 ' A' ' 79' ' ' THR . 7.7 pt-20 -58.18 -29.34 65.56 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.927 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 62.1 t30 -66.31 -53.19 39.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.909 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 68.8 mt -62.51 -29.07 70.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.955 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 15.3 ttpp -68.74 -49.03 62.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.919 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.437 HG22 ' O ' ' A' ' 75' ' ' GLU . 13.4 t -85.68 27.33 0.86 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.189 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 64.3 ttp -104.86 100.39 10.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.882 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 113.15 -157.11 15.16 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.508 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 3.9 ptm180 -172.07 158.14 4.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.898 0.38 . . . . 0.0 110.884 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -84.68 159.79 20.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.939 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 89.2 p -104.72 84.26 2.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.839 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 23.8 tp . . . . . 0 C--N 1.327 -0.374 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.91 179.988 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 36.0 t -134.75 127.14 30.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.853 0.359 . . . . 0.0 110.891 -179.748 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.0 t -119.66 138.67 53.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.849 -179.829 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -104.48 159.34 16.16 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.463 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.7 t -129.92 -56.44 1.12 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.873 0.368 . . . . 0.0 110.801 -179.71 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 28.2 m -79.86 -55.4 5.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.856 -179.813 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.433 ' O ' ' C ' ' A' ' 8' ' ' MET . . . 78.79 -109.99 2.96 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.488 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.433 ' C ' ' O ' ' A' ' 7' ' ' GLY . 1.9 mtp -35.52 -75.43 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.741 0.305 . . . . 0.0 110.907 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.771 ' H ' HD12 ' A' ' 9' ' ' ILE . 4.8 mp -40.31 -52.11 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.11 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -51.27 -59.65 3.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.121 179.821 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -51.19 -59.88 3.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.097 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.495 ' O ' ' N ' ' A' ' 15' ' ' SER . 23.6 m-85 -52.57 -68.57 0.16 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.953 -179.835 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.424 ' C ' ' O ' ' A' ' 12' ' ' TYR . 1.9 tp10 -36.03 -52.86 0.77 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.907 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 9.2 t-20 -64.98 -36.59 84.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.874 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.495 ' N ' ' O ' ' A' ' 12' ' ' TYR . 3.9 p -54.64 166.68 0.43 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.876 -179.839 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.0 ptpt -126.3 148.05 49.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.909 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . 0.42 ' CH2' ' HA ' ' A' ' 19' ' ' PRO . 67.9 t90 -49.93 147.48 3.86 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.946 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -142.74 140.49 18.48 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.614 0.721 . . . . 0.0 110.902 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.42 ' HA ' ' CH2' ' A' ' 17' ' ' TRP . 53.8 Cg_endo -69.79 96.93 0.61 Allowed 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.64 2.227 . . . . 0.0 112.354 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.739 HG21 ' HD3' ' A' ' 72' ' ' LYS . 2.4 p -130.73 134.73 61.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.119 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 15.4 ttmt -83.36 105.09 14.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.87 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . 0.441 ' CZ2' ' HB3' ' A' ' 70' ' ' LEU . 58.0 m95 -67.37 132.39 47.57 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.962 179.874 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -116.0 156.4 26.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.895 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 14.9 t-20 -59.44 148.45 32.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.872 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 17.1 t70 59.5 52.18 5.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.866 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 19.6 mmm -126.46 165.96 18.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.912 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 19.1 m170 -120.64 142.67 49.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.864 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.413 ' HB3' ' CH2' ' A' ' 22' ' ' TRP . 1.8 p -160.53 159.13 30.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.923 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.415 ' CB ' ' CZ ' ' A' ' 12' ' ' TYR . . . -94.95 129.74 41.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.135 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.893 HG21 HG11 ' A' ' 65' ' ' VAL . 7.3 p -117.58 145.29 23.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.172 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.566 ' HB2' ' CZ2' ' A' ' 38' ' ' TRP . 25.7 ttpt -105.05 117.62 34.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.88 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.63 HG22 ' H ' ' A' ' 35' ' ' LYS . 48.4 mt -74.66 141.42 16.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.121 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -80.25 -54.41 5.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.891 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -56.74 -37.84 71.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.847 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.63 ' H ' HG22 ' A' ' 32' ' ' ILE . 6.7 mmpt? -104.84 171.1 7.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.889 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 4.9 m120 -118.07 39.16 3.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.877 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -121.35 -176.18 3.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.904 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . 0.566 ' CZ2' ' HB2' ' A' ' 31' ' ' LYS . 43.2 m95 -136.07 125.77 25.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.903 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.647 ' O ' HG12 ' A' ' 30' ' ' VAL . 5.4 ptp180 -134.15 130.59 37.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.878 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -74.53 153.2 39.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.86 -179.886 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -135.2 178.04 18.89 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.477 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.46 ' O ' ' N ' ' A' ' 44' ' ' ILE . 42.7 tt0 -115.92 115.49 26.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.794 0.331 . . . . 0.0 110.87 -179.865 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 35.3 mm -49.96 89.42 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.139 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.927 HD11 ' HB2' ' A' ' 55' ' ' LEU . 57.3 mt -65.61 -68.96 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.125 179.867 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 4.4 ptm180 -154.83 124.79 6.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.872 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.636 ' HG2' HG22 ' A' ' 52' ' ' VAL . 17.0 mtp -67.6 117.69 9.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.883 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.606 HG12 HG23 ' A' ' 48' ' ' THR . 34.7 t -78.73 -62.34 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.161 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.606 HG23 HG12 ' A' ' 47' ' ' VAL . 37.8 p -134.03 -175.37 3.82 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.17 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -72.09 -9.53 58.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.885 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 25.1 p -125.63 -7.31 6.83 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.137 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 55.6 mt -122.74 151.28 41.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.878 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.773 ' O ' HG23 ' A' ' 64' ' ' VAL . 56.7 t -155.32 130.63 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.1 179.803 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 13.7 tt0 -84.44 120.77 26.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.903 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 3.5 m -122.33 160.49 24.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.172 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.927 ' HB2' HD11 ' A' ' 44' ' ' ILE . 7.9 tp -119.8 120.3 36.1 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.913 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.474 ' HB3' HG22 ' A' ' 59' ' ' VAL . 41.9 mt -76.92 47.75 0.54 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.898 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.422 ' C ' ' O ' ' A' ' 56' ' ' LEU . 30.7 p90 -35.69 -34.68 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.927 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.424 ' N ' ' O ' ' A' ' 56' ' ' LEU . 4.9 t0 -52.53 -49.85 64.03 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.867 179.879 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.492 HG23 ' N ' ' A' ' 60' ' ' GLY . 34.3 m -97.8 -44.14 12.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.146 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.492 ' N ' HG23 ' A' ' 59' ' ' VAL . . . 113.73 47.42 0.62 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.479 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 42.8 t -137.1 126.5 36.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.751 0.31 . . . . 0.0 111.133 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -91.18 119.31 31.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.881 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -150.91 174.57 12.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.943 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.773 HG23 ' O ' ' A' ' 52' ' ' VAL . 3.6 p -130.98 124.32 55.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.094 179.892 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.893 HG11 HG21 ' A' ' 30' ' ' VAL . 8.3 m -112.6 169.93 4.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.108 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 3.6 t30 -83.92 134.75 34.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.876 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 19.4 m -46.84 -20.35 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.178 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -64.22 -38.9 92.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.912 179.874 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 13.1 m -82.42 -24.94 34.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.856 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.441 ' HB3' ' CZ2' ' A' ' 22' ' ' TRP . 43.4 mt -64.25 137.02 57.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.891 -179.903 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 17.3 mmt85 -136.09 152.63 51.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.907 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.739 ' HD3' HG21 ' A' ' 20' ' ' VAL . 5.4 mmmm -71.35 119.56 15.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.903 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 5.8 tp -62.8 94.39 0.07 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.889 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -53.65 163.91 0.61 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.857 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -78.44 -49.89 12.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.854 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 12.3 m-20 -55.59 -52.53 63.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.886 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 69.7 mt -56.34 -35.65 67.86 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.882 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 5.1 mtpm? -62.42 -72.47 0.13 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.881 179.856 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -100.54 108.96 21.03 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.143 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 28.0 mtt -114.8 79.09 1.22 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.868 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 75.82 130.05 0.3 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.486 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 52.9 mtm180 -93.71 131.06 39.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.899 0.38 . . . . 0.0 110.904 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.405 HD13 ' HA ' ' A' ' 83' ' ' LEU . 3.4 mm? -81.32 173.27 12.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.881 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 90.9 p -101.21 80.53 2.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.858 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 12.0 mt . . . . . 0 C--N 1.328 -0.352 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.907 179.998 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 N-CA-C 112.517 -0.233 . . . . 0.0 112.517 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.0 m -75.82 176.2 8.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.869 0.366 . . . . 0.0 110.884 -179.751 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 48.9 m -86.24 120.25 27.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.898 -179.83 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.434 ' O ' ' C ' ' A' ' 5' ' ' SER . . . 149.8 127.77 1.55 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.477 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.434 ' C ' ' O ' ' A' ' 4' ' ' GLY . 5.4 t -35.63 132.4 0.45 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.851 0.357 . . . . 0.0 110.861 -179.746 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.9 m -97.98 93.54 6.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.864 -179.825 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -117.47 -46.37 0.49 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.494 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 7.4 mtp -59.55 -75.41 0.06 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.751 0.31 . . . . 0.0 110.891 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.749 ' H ' HD12 ' A' ' 9' ' ' ILE . 5.3 mp -48.16 -48.66 12.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.163 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.26 -56.54 18.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.129 179.816 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -56.2 -58.35 8.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.075 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 46.8 m-85 -53.38 -39.5 64.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.914 -179.855 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.669 ' OE2' HG22 ' A' ' 9' ' ' ILE . 20.6 mt-10 -67.47 -41.24 84.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.857 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 39.7 t30 -63.78 -45.34 90.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.899 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 11.1 t -59.65 177.81 0.19 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 26.2 mtpt -129.51 -176.08 3.78 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.924 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 75.2 t90 -68.82 159.1 33.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.924 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.423 ' CD ' ' HD2' ' A' ' 19' ' ' PRO . 6.1 tp10 -164.7 137.83 3.87 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.617 0.722 . . . . 0.0 110.919 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.423 ' HD2' ' CD ' ' A' ' 18' ' ' GLU . 53.7 Cg_endo -69.76 98.3 0.68 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.66 2.24 . . . . 0.0 112.351 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.716 HG11 ' HD2' ' A' ' 72' ' ' LYS . 2.8 p -129.61 107.85 15.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.147 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 15.5 ttmt -60.44 113.47 2.43 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.876 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . 0.484 ' HB3' HD12 ' A' ' 43' ' ' ILE . 83.1 m95 -77.25 114.88 16.54 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.885 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.529 ' O ' HG21 ' A' ' 43' ' ' ILE . 54.9 mt-10 -89.32 159.21 17.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.865 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -66.81 149.62 50.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.892 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 59.27 50.21 8.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.851 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 13.5 mmm -120.92 167.74 12.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.851 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 67.6 m170 -118.0 132.8 56.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.822 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 4.2 p -152.55 170.28 20.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.931 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -110.92 113.9 26.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.089 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.784 HG21 HG11 ' A' ' 65' ' ' VAL . 1.3 p -90.4 142.32 13.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.148 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.574 ' HB2' ' CH2' ' A' ' 38' ' ' TRP . 24.2 tttp -97.07 126.01 41.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.94 179.895 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.437 HD12 ' O ' ' A' ' 37' ' ' GLN . 11.2 mt -78.52 143.98 11.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.157 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 5.9 mm-40 -75.19 -75.23 0.18 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.919 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -60.53 -40.98 93.46 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.853 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.431 ' CB ' HG21 ' A' ' 32' ' ' ILE . 0.8 OUTLIER -83.98 150.36 25.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.906 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 48.8 m-20 -109.04 35.75 3.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.854 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.437 ' O ' HD12 ' A' ' 32' ' ' ILE . 5.1 tt0 -122.2 133.4 54.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.926 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . 0.574 ' CH2' ' HB2' ' A' ' 31' ' ' LYS . 66.5 m95 -83.5 121.95 27.89 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.894 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.476 ' CZ ' ' HA ' ' A' ' 39' ' ' ARG . 1.0 OUTLIER -108.97 -176.34 3.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.841 -179.964 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 42.4 mtt180 -120.0 144.81 47.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.863 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -140.36 153.55 23.56 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.527 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.463 ' HB2' ' CD1' ' A' ' 57' ' ' TYR . 48.4 tt0 -106.74 115.94 31.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.77 0.319 . . . . 0.0 110.911 -179.866 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.529 HG21 ' O ' ' A' ' 23' ' ' GLU . 48.3 mm -47.77 91.53 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.13 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.833 HD11 ' HB2' ' A' ' 55' ' ' LEU . 51.5 mt -70.17 -67.35 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.108 179.859 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 7.6 ptm180 -159.81 125.23 4.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.862 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.564 ' HG2' HG22 ' A' ' 52' ' ' VAL . 37.8 mtp -67.35 118.68 11.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.869 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.558 HG12 HG23 ' A' ' 48' ' ' THR . 47.3 t -81.85 -70.15 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.156 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.558 HG23 HG12 ' A' ' 47' ' ' VAL . 59.1 p -117.4 -179.45 3.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.175 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -71.33 -8.4 53.45 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.902 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 38.6 p -125.98 -12.06 6.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.12 -179.872 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.416 HD23 ' OD1' ' A' ' 66' ' ' ASN . 24.0 mt -116.33 154.61 29.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.867 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.769 ' O ' HG23 ' A' ' 64' ' ' VAL . 30.7 t -155.69 133.7 2.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.099 179.845 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -84.29 123.44 30.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.922 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 2.7 m -127.93 159.84 38.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.116 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.833 ' HB2' HD11 ' A' ' 44' ' ' ILE . 9.9 tp -119.06 121.64 40.29 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.932 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.616 HD12 ' HB ' ' A' ' 61' ' ' VAL . 28.8 mt -76.21 48.64 0.52 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.939 179.853 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.463 ' CD1' ' HB2' ' A' ' 42' ' ' GLN . 38.3 p90 -37.02 -29.09 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.919 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.488 ' N ' ' O ' ' A' ' 56' ' ' LEU . 6.9 t70 -57.77 -49.93 74.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.85 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.452 HG23 ' N ' ' A' ' 60' ' ' GLY . 34.2 m -99.44 -42.11 10.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.131 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.452 ' N ' HG23 ' A' ' 59' ' ' VAL . . . 111.86 48.87 0.65 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.471 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.616 ' HB ' HD12 ' A' ' 56' ' ' LEU . 40.3 t -136.67 124.83 34.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.798 0.333 . . . . 0.0 111.141 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -88.78 120.46 30.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.889 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -153.24 175.77 12.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.897 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.769 HG23 ' O ' ' A' ' 52' ' ' VAL . 2.7 p -133.98 124.59 47.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.126 179.834 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.784 HG11 HG21 ' A' ' 30' ' ' VAL . 4.0 m -114.4 177.31 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.109 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . 0.416 ' OD1' HD23 ' A' ' 51' ' ' LEU . 4.5 t30 -89.88 138.96 31.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.844 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 15.3 m -52.81 -25.72 9.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.112 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -63.13 -27.96 69.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.878 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 17.5 m -97.66 -5.81 34.55 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.887 -179.882 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 22.1 mt -81.13 138.71 35.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.977 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.468 ' HG3' ' CZ3' ' A' ' 38' ' ' TRP . 4.2 mmp_? -124.75 156.29 37.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.873 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.716 ' HD2' HG11 ' A' ' 20' ' ' VAL . 0.0 OUTLIER -88.05 121.92 31.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.894 179.968 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 1.5 tp -73.22 117.98 15.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.912 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -76.81 172.03 13.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.857 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.655 ' O ' HG22 ' A' ' 79' ' ' THR . 15.6 tt0 -80.8 -40.35 25.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.9 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -69.1 -55.02 11.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.906 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 32.7 mt -55.63 -31.14 62.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.913 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 6.3 ttpm? -76.12 -55.41 5.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.889 179.84 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.655 HG22 ' O ' ' A' ' 75' ' ' GLU . 7.5 t -84.22 33.14 0.49 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.085 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 30.9 ttm -72.93 119.38 17.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.923 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 65.8 -110.22 3.35 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.474 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 47.5 ttp180 -135.99 164.69 27.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.857 0.36 . . . . 0.0 110.828 -179.852 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.665 ' O ' HD12 ' A' ' 83' ' ' LEU . 1.8 pp -172.27 160.33 5.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.928 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 65.9 p -109.93 95.36 5.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.865 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 7.5 tp . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.886 -179.941 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.516 -0.233 . . . . 0.0 112.516 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.8 t -167.49 150.64 6.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.906 0.384 . . . . 0.0 110.852 -179.736 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 46.1 p -67.6 155.32 39.43 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.874 -179.854 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 73.08 131.65 0.17 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.44 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.3 m -114.67 91.21 3.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.86 0.362 . . . . 0.0 110.849 -179.744 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.777 ' HB2' ' HB2' ' A' ' 10' ' ' ALA . 69.0 m -60.7 -58.95 6.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.862 -179.82 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.438 ' O ' ' C ' ' A' ' 8' ' ' MET . . . 78.32 -114.49 3.96 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.522 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.708 ' HA ' HD13 ' A' ' 77' ' ' LEU . 2.1 mtp -34.92 -75.42 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.749 0.309 . . . . 0.0 110.894 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.759 ' H ' HD12 ' A' ' 9' ' ' ILE . 4.5 mp -45.22 -48.41 3.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.116 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.777 ' HB2' ' HB2' ' A' ' 6' ' ' SER . . . -50.28 -63.03 1.24 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.099 179.817 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.687 ' HB3' HD11 ' A' ' 77' ' ' LEU . . . -53.22 -60.21 3.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.069 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 30.4 m-85 -45.38 -42.14 9.83 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.927 -179.85 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 10.3 tm-20 -62.9 -54.81 32.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.875 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 14.6 t-20 -55.41 -48.86 73.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.891 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 5.8 t -58.83 120.99 10.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.869 -179.835 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 11.0 ptpt -79.24 145.83 33.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.903 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . 0.462 ' CD1' ' HA ' ' A' ' 68' ' ' ASP . 85.1 t90 -46.75 158.98 0.11 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.932 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -152.33 140.48 13.43 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.601 0.715 . . . . 0.0 110.912 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 100.23 0.81 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.689 2.259 . . . . 0.0 112.315 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 2.1 p -133.44 127.48 53.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.144 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 19.0 tptt -76.06 110.94 10.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.88 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . 0.492 ' CZ3' ' HB3' ' A' ' 28' ' ' CYS . 95.6 m95 -72.71 139.64 47.34 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.917 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -117.95 151.72 36.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.913 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 7.3 t-20 -59.06 147.73 33.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.91 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 26.7 t70 63.27 49.33 3.31 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.814 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 31.7 mtp -125.32 166.81 15.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.875 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 14.2 m170 -119.0 147.3 44.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.865 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.492 ' HB3' ' CZ3' ' A' ' 22' ' ' TRP . 24.0 p -170.63 175.47 4.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.884 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -112.88 152.26 29.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.107 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.876 HG21 HG11 ' A' ' 65' ' ' VAL . 4.9 p -135.86 156.77 37.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.135 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.565 ' HB2' ' CZ2' ' A' ' 38' ' ' TRP . 23.2 ttpt -103.8 121.42 43.0 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.895 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.588 HG22 ' H ' ' A' ' 35' ' ' LYS . 45.6 mt -70.69 138.8 21.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.143 179.863 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 30.0 mm-40 -74.66 -64.1 1.11 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.94 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -57.64 -40.41 79.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.858 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.588 ' H ' HG22 ' A' ' 32' ' ' ILE . 8.0 mmmm -96.11 175.08 6.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.872 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 5.3 m-80 -119.9 29.56 7.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.907 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 43.9 mt-30 -109.99 -179.19 3.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.891 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . 0.565 ' CZ2' ' HB2' ' A' ' 31' ' ' LYS . 16.5 m95 -129.51 110.01 11.51 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.906 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.433 ' O ' HG12 ' A' ' 30' ' ' VAL . 74.4 mtt180 -103.84 155.28 18.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.899 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 79.5 mtm180 -92.02 159.1 15.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -151.46 161.11 29.05 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.517 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.428 ' O ' ' N ' ' A' ' 44' ' ' ILE . 40.1 tt0 -109.38 116.88 32.67 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.756 0.312 . . . . 0.0 110.927 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 44.1 mm -45.04 93.76 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.138 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.843 HD11 ' HB2' ' A' ' 55' ' ' LEU . 47.1 mt -71.49 -65.09 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.136 179.858 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 4.5 ptm180 -161.53 126.44 3.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.837 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.749 ' HG2' HG22 ' A' ' 52' ' ' VAL . 35.8 mtp -68.99 125.17 25.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.913 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.655 HG12 HG23 ' A' ' 48' ' ' THR . 61.2 t -90.52 -64.64 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.142 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.655 HG23 HG12 ' A' ' 47' ' ' VAL . 39.0 p -126.57 179.21 5.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.131 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.502 ' OD1' HG23 ' A' ' 50' ' ' THR . 0.7 OUTLIER -70.99 -9.35 57.85 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.901 179.917 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.502 HG23 ' OD1' ' A' ' 49' ' ' ASP . 17.6 p -126.15 -0.38 7.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.124 -179.863 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.495 ' O ' HG23 ' A' ' 52' ' ' VAL . 28.0 mt -130.56 154.77 47.49 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.875 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.749 HG22 ' HG2' ' A' ' 46' ' ' MET . 38.3 t -158.09 134.65 2.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.148 179.801 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 15.1 tt0 -86.02 125.92 33.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.92 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 3.2 m -127.59 165.35 26.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.131 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.843 ' HB2' HD11 ' A' ' 44' ' ' ILE . 4.6 tp -121.04 120.41 35.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.889 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.49 ' O ' ' N ' ' A' ' 58' ' ' ASP . 19.0 mt -75.72 48.91 0.49 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.965 179.868 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.456 ' C ' ' O ' ' A' ' 56' ' ' LEU . 30.9 p90 -33.89 -34.19 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.908 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.49 ' N ' ' O ' ' A' ' 56' ' ' LEU . 5.9 p-10 -50.32 -51.12 48.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.86 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 34.2 m -100.92 -38.08 5.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.129 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 111.91 38.82 1.36 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.523 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 43.2 t -130.64 125.64 59.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.755 0.312 . . . . 0.0 111.121 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.785 ' HG3' HD13 ' A' ' 55' ' ' LEU . 3.7 mp0 -93.05 117.55 30.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.897 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.457 HD22 ' HG ' ' A' ' 56' ' ' LEU . 1.0 OUTLIER -139.49 174.25 10.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.861 -179.924 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -125.44 123.63 65.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.126 179.839 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.876 HG11 HG21 ' A' ' 30' ' ' VAL . 13.1 m -117.99 165.88 12.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.109 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 4.1 t30 -79.7 133.52 36.36 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.926 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.42 ' HA ' HD12 ' A' ' 70' ' ' LEU . 16.1 m -50.91 -23.0 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.091 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.462 ' HA ' ' CD1' ' A' ' 17' ' ' TRP . 6.0 t70 -62.93 -34.08 76.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.904 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 4.6 m -85.6 -27.7 25.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.873 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.42 HD12 ' HA ' ' A' ' 67' ' ' VAL . 41.6 mt -57.75 144.73 37.18 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.888 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.563 ' HG3' ' CH2' ' A' ' 38' ' ' TRP . 5.5 mmm180 -140.34 138.28 34.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.876 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 8.6 mmtt -60.77 134.36 57.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.908 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 8.2 tp -75.14 104.46 5.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.901 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 26.4 mm-40 -83.61 138.02 33.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.915 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -51.53 -40.64 60.05 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.87 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 5.3 t-20 -47.88 -50.18 27.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.906 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.708 HD13 ' HA ' ' A' ' 8' ' ' MET . 11.5 mt -99.13 27.82 4.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.937 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 1.2 tmtt? -112.55 -42.62 3.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.911 179.836 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 57.8 p -100.12 43.61 1.05 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.147 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 45.1 ttm -93.5 133.35 36.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.908 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 127.87 -140.84 12.11 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.494 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 52.2 mtp180 -141.2 112.04 7.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.808 0.337 . . . . 0.0 110.87 -179.849 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -77.38 152.82 34.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.871 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 58.2 m -96.19 83.21 3.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.833 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 11.7 mt . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.956 179.959 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.8 m 61.11 28.28 18.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.886 0.374 . . . . 0.0 110.876 -179.739 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 40.7 m 62.38 40.59 10.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.867 -179.802 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -133.28 -85.88 0.27 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.44 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.3 t -169.87 141.13 2.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.901 0.381 . . . . 0.0 110.829 -179.716 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.4 t -71.26 -70.11 0.33 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.839 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.442 ' O ' ' C ' ' A' ' 8' ' ' MET . . . 83.5 -106.5 2.83 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.49 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.442 ' C ' ' O ' ' A' ' 7' ' ' GLY . 3.7 mtp -35.05 -75.42 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.717 0.294 . . . . 0.0 110.88 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.717 ' H ' HD12 ' A' ' 9' ' ' ILE . 5.2 mp -44.19 -48.25 2.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.185 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.426 ' HB3' ' O ' ' A' ' 7' ' ' GLY . . . -50.69 -57.21 8.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.111 179.811 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.82 ' HB3' HD11 ' A' ' 77' ' ' LEU . . . -56.81 -59.69 4.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.1 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.534 ' CE1' ' OE2' ' A' ' 74' ' ' GLU . 44.0 m-85 -46.37 -51.72 14.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.914 -179.854 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.9 tm-20 -56.72 -50.21 72.87 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.89 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 38.6 m-20 -56.99 -41.67 78.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.938 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 6.4 t -65.71 151.07 47.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.849 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 58.1 mtmt -113.48 146.75 39.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.943 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 43.5 t90 -45.35 146.59 0.94 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.927 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -146.36 146.76 28.72 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-O 121.663 0.744 . . . . 0.0 110.851 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 95.85 0.57 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.661 2.24 . . . . 0.0 112.305 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.407 HG13 ' O ' ' A' ' 20' ' ' VAL . 5.1 p -132.17 120.6 44.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.121 179.878 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 25.3 ttmt -67.29 118.84 11.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.879 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 66.2 m95 -80.92 121.33 25.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.925 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 67.6 mt-10 -102.96 159.18 15.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.881 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 7.1 m120 -64.88 149.76 48.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.883 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 22.3 t0 59.55 52.86 5.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.846 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 32.2 mtp -127.06 161.8 27.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.871 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.525 ' HB3' HD22 ' A' ' 73' ' ' LEU . 60.3 m170 -107.29 145.67 32.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.835 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.531 ' SG ' HD22 ' A' ' 70' ' ' LEU . 24.6 p -166.79 160.69 14.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.945 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -107.76 119.78 40.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.137 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.825 HG21 HG11 ' A' ' 65' ' ' VAL . 2.1 p -102.86 146.93 10.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.124 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.564 ' HB3' ' CH2' ' A' ' 38' ' ' TRP . 7.4 pttt -102.92 138.08 40.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.861 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 13.7 mt -86.24 144.31 9.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.136 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 9.2 pt20 -83.93 -43.89 14.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.9 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -73.48 -38.24 65.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.879 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 23.7 mmtt -104.42 171.02 7.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.898 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 1.4 p-10 -114.44 23.19 13.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.88 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 54.9 mt-30 -109.33 128.2 54.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.925 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . 0.564 ' CH2' ' HB3' ' A' ' 31' ' ' LYS . 36.5 m95 -79.28 121.07 24.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.888 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 7.1 mmt85 -109.02 160.65 15.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.876 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 52.1 mtm180 -93.96 156.46 16.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.929 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -152.49 152.04 23.79 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.5 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.474 ' O ' ' N ' ' A' ' 44' ' ' ILE . 34.8 tt0 -110.47 118.82 37.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.749 0.309 . . . . 0.0 110.93 -179.873 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 35.5 mm -45.5 91.19 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.175 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.921 HD11 ' HB2' ' A' ' 55' ' ' LEU . 46.4 mt -72.0 -65.64 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.139 179.845 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.445 ' O ' ' CG ' ' A' ' 45' ' ' ARG . 6.0 ptm180 -156.85 121.27 4.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.852 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.558 ' HG2' HG22 ' A' ' 52' ' ' VAL . 23.5 mtp -67.44 110.54 3.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.926 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.628 HG12 HG23 ' A' ' 48' ' ' THR . 47.5 t -74.91 -68.28 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.155 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.628 HG23 HG12 ' A' ' 47' ' ' VAL . 14.5 p -125.18 173.92 8.43 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.135 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 32.3 m-20 -64.77 -9.14 18.18 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.912 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.401 ' O ' HG22 ' A' ' 67' ' ' VAL . 9.4 p -121.12 -24.32 5.57 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.128 -179.912 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 91.9 mt -109.34 151.88 26.01 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.937 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.802 ' C ' HG23 ' A' ' 64' ' ' VAL . 53.4 t -153.92 132.89 3.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.156 179.833 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 -84.31 124.34 31.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.875 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 2.4 m -127.43 160.13 36.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.136 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.921 ' HB2' HD11 ' A' ' 44' ' ' ILE . 8.0 tp -116.29 120.25 38.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.919 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.638 HD12 ' HB ' ' A' ' 61' ' ' VAL . 33.1 mt -76.04 48.54 0.5 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.977 179.853 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.45 ' C ' ' O ' ' A' ' 56' ' ' LEU . 43.5 p90 -34.61 -36.0 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.88 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.426 ' N ' ' O ' ' A' ' 56' ' ' LEU . 29.5 t70 -51.59 -52.24 49.03 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.897 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.498 HG23 ' N ' ' A' ' 60' ' ' GLY . 33.9 m -96.58 -44.78 12.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.156 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.498 ' N ' HG23 ' A' ' 59' ' ' VAL . . . 114.4 46.62 0.62 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.485 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.638 ' HB ' HD12 ' A' ' 56' ' ' LEU . 41.1 t -135.27 127.66 47.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.815 0.34 . . . . 0.0 111.099 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -92.45 119.08 31.61 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.871 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.421 ' O ' HD23 ' A' ' 63' ' ' LEU . 0.7 OUTLIER -151.24 170.95 18.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.943 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.802 HG23 ' C ' ' A' ' 52' ' ' VAL . 3.8 p -124.82 128.86 73.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.162 179.819 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.825 HG11 HG21 ' A' ' 30' ' ' VAL . 17.4 m -121.66 167.9 14.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.161 179.905 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 5.6 t30 -79.39 135.76 36.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.863 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.401 HG22 ' O ' ' A' ' 50' ' ' THR . 5.5 m -44.84 -30.59 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.086 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -55.02 -40.37 70.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.871 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 69.3 m -78.15 -34.39 49.79 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.871 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.531 HD22 ' SG ' ' A' ' 28' ' ' CYS . 78.1 mt -59.37 141.48 54.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.893 -179.878 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.468 ' HA ' ' CZ ' ' A' ' 71' ' ' ARG . 1.4 mmp_? -141.67 144.01 33.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.841 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 33.5 mtpt -64.12 122.12 15.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.924 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.834 HD23 ' HD3' ' A' ' 78' ' ' LYS . 6.6 tp -70.48 97.45 1.3 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.88 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 1.011 ' CD ' HD12 ' A' ' 77' ' ' LEU . 1.2 pm0 -64.94 138.03 58.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.916 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -65.22 -25.57 67.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.907 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -62.25 -55.77 25.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.877 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 1.011 HD12 ' CD ' ' A' ' 74' ' ' GLU . 78.4 mt -69.92 -13.9 62.47 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.908 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.834 ' HD3' HD23 ' A' ' 73' ' ' LEU . 23.8 mtmt -72.64 -58.79 3.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.926 179.809 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 16.3 p -104.29 104.95 14.93 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.127 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 4.9 ptp -154.32 168.19 27.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.883 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 67.46 -102.24 0.79 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.48 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 35.7 mtm-85 -99.3 158.5 15.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.857 0.36 . . . . 0.0 110.863 -179.854 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 10.0 mp -93.1 157.01 16.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.949 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 54.7 p -137.5 110.75 7.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.841 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.568 HD13 ' O ' ' A' ' 85' ' ' LEU . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.899 -179.968 . . . . . . . . 2 2 . 1 stop_ save_