data_2kcn_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 2kcn _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.806 0.336 . . . . 0.0 110.882 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 11.4 m-85 -145.42 155.56 43.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.946 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 2.0 m -134.97 144.91 47.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.179 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -166.89 -154.45 8.42 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.526 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -144.19 170.96 14.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.797 0.332 . . . . 0.0 110.882 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 9.3 m -111.52 170.48 8.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.891 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -119.41 131.65 55.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.118 -179.862 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.29 -34.6 47.35 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.925 179.872 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 54.6 p -82.7 -25.77 32.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.91 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -145.0 111.73 5.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.894 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 27.0 t30 -79.92 74.0 6.68 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.861 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -135.98 151.93 50.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.886 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 25.9 t -87.69 105.1 17.14 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.843 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.69 61.28 6.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.885 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 21.5 p90 -96.56 -170.27 2.04 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.92 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -130.81 133.89 46.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.931 179.871 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -118.6 168.37 10.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.905 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 25.2 t0 72.12 -69.42 0.19 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.872 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -173.96 44.81 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.134 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 106.37 17.53 12.36 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.541 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 3.2 tmtt? -79.85 115.91 19.71 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.767 0.317 . . . . 0.0 110.901 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -51.87 124.59 12.99 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.805 179.867 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 97.2 m -137.65 133.01 33.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.201 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 54.5 m-85 -130.6 112.74 13.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.857 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 6.1 tp -128.47 123.81 60.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.166 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 12.8 mtpt -66.95 127.21 31.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.915 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 19.9 m -73.02 153.65 90.82 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.566 0.698 . . . . 0.0 110.892 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.81 82.57 0.75 Allowed 'Trans proline' 0 C--N 1.34 0.121 0 C-N-CA 122.712 2.274 . . . . 0.0 112.32 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 3.7 mmtm -145.14 67.77 1.24 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.948 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 16.5 m-85 -79.74 108.1 13.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.859 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 51.74 32.29 9.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.9 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -125.52 -37.42 2.35 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.933 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 5.2 mttt -179.4 71.2 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.879 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 13.8 mtpp -83.31 53.98 2.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.879 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 19.7 t 64.03 153.27 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.938 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 7.5 p -154.76 39.12 0.43 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.197 -179.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 178.33 130.74 0.07 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.891 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -51.9 120.81 5.71 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.851 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 51.75 53.49 12.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.895 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -61.2 -76.53 0.05 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.935 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 18.8 tttt -179.3 143.69 0.21 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.879 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -152.21 167.26 29.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.907 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -165.23 138.23 4.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.112 -179.819 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 95.8 t -131.04 144.24 38.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.062 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -125.6 138.12 53.92 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.826 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 67.6 p -73.22 -10.56 59.89 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.161 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 9.6 t80 -51.58 -58.1 7.26 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.879 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 45.1 p30 -151.68 39.35 0.63 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.863 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 50.96 47.81 24.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.85 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -87.54 100.1 12.53 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.085 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 21.4 t -96.94 112.88 29.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.151 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 22.1 m-20 -84.53 179.95 7.28 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.973 179.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 16.6 p -150.18 146.65 26.99 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.872 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 22.0 t0 . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.912 179.95 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 47.9 mtmt . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.76 0.314 . . . . 0.0 110.87 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 15.7 m-85 -145.59 146.53 31.41 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.902 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 25.9 p -133.16 143.43 49.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.149 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -170.92 -150.13 6.85 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.444 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -148.76 166.49 28.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.785 0.326 . . . . 0.0 110.916 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 82.4 m -115.75 158.53 22.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.897 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 2.0 t -108.29 142.59 38.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.178 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 10.9 ptmm? -55.86 -26.12 45.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.954 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.2 p -74.63 -25.27 59.12 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.858 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -155.69 117.3 3.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.928 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 49.2 t30 -79.9 66.02 5.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.904 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 17.1 pt-20 -132.53 150.06 52.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.844 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 38.3 t -78.61 113.41 16.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.948 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 15.0 ptpt -100.72 66.49 1.21 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.88 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 14.9 p90 -101.78 178.7 4.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.944 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 17.4 mttt -107.15 102.08 11.44 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.913 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . 0.432 ' ND2' ' HG1' ' A' ' 24' ' ' THR . 0.1 OUTLIER -92.65 144.33 25.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.947 179.891 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 26.0 t0 72.17 -69.32 0.19 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.781 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -170.21 52.1 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.1 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 83.22 28.37 37.06 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.489 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.39 127.82 32.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.851 0.358 . . . . 0.0 110.851 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -51.97 108.59 0.29 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.829 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.432 ' HG1' ' ND2' ' A' ' 18' ' ' ASN . 94.9 m -148.48 127.87 13.07 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.132 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 36.3 m-85 -137.27 127.04 25.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.962 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 17.2 tt -133.11 133.54 58.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.143 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.3 mppt? -65.83 133.23 50.53 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.916 179.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 60.2 m -78.11 153.58 79.86 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.629 0.728 . . . . 0.0 110.849 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 86.24 0.59 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.696 2.264 . . . . 0.0 112.301 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 68.9 mmtt -143.73 67.06 1.28 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.879 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 13.4 m-85 -79.88 74.24 6.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.901 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 8.9 t0 63.51 86.1 0.12 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.914 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -177.0 -35.93 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.903 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 7.5 tptm -175.7 57.99 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.901 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -79.93 158.34 26.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.851 179.867 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 40.7 t -52.25 148.77 6.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.875 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 10.4 p -148.87 39.84 0.87 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.128 -179.804 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -179.96 161.08 0.92 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.903 179.873 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -71.22 111.69 6.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.829 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 61.77 75.01 0.42 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.937 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -84.42 -78.64 0.23 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.923 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -179.34 143.98 0.21 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.923 179.872 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 19.1 p -169.45 153.64 5.3 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.836 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -138.35 162.3 34.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.116 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 86.5 t -150.4 143.69 17.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.117 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -122.59 148.75 44.86 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.874 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 71.1 p -83.9 -16.08 45.65 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.125 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 5.0 t80 -51.63 -56.24 14.72 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.972 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 28.0 t30 -151.6 39.22 0.63 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.832 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 6.8 m120 51.02 50.36 19.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.836 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -80.11 80.39 6.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.108 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 44.9 t -81.14 133.1 30.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.125 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 28.8 m-20 -115.79 -173.27 2.31 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.902 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -151.6 166.9 29.8 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.892 -179.905 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 65.4 t0 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.884 -179.969 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 6.0 mtmt . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.818 0.342 . . . . 0.0 110.873 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 14.5 m-85 -145.49 160.13 42.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.86 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 3.0 m -148.32 153.52 38.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.15 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 179.22 -145.5 6.68 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.453 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.0 175.79 9.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.704 0.288 . . . . 0.0 110.925 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -106.89 -172.54 2.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.852 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -135.17 131.38 36.71 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.062 -179.851 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.27 -27.2 54.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.875 179.872 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -86.26 -19.4 29.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.824 -179.902 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.1 ttmt -156.38 119.1 4.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.914 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 46.3 t30 -79.64 61.88 3.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.875 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 21.3 pt-20 -122.33 147.86 45.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.841 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 36.5 t -79.14 106.77 11.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.834 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -95.38 79.53 3.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.886 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 14.0 p90 -111.43 -170.51 1.66 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.888 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.26 127.07 40.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.888 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -115.3 168.35 10.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.877 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 10.0 t0 72.09 -69.43 0.19 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.869 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -175.28 42.35 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.044 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 112.13 13.99 11.48 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.505 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.96 113.61 18.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.835 0.35 . . . . 0.0 110.922 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -52.9 131.49 35.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.872 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 97.4 m -140.56 131.81 26.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.199 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 53.1 m-85 -128.24 130.57 48.13 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.926 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 6.1 tp -152.04 124.26 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.1 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 8.7 tttm -54.09 135.73 42.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.919 179.826 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 16.6 m -94.2 153.18 40.68 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.65 0.738 . . . . 0.0 110.856 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 80.43 0.87 Allowed 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.7 2.267 . . . . 0.0 112.333 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 23.1 mmtm -148.4 64.84 1.08 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.941 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 10.2 p90 -104.9 115.58 30.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.875 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 53.9 66.55 1.2 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.841 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -179.85 -34.73 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.94 -179.902 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.59 60.27 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.851 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -78.92 149.21 32.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.961 179.812 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 17.2 p -51.66 153.71 2.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.891 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 8.6 p -154.11 39.76 0.47 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.142 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 179.64 155.03 0.53 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.932 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -72.41 114.96 11.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.848 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 61.89 74.34 0.44 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.872 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 -84.49 -78.97 0.23 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.912 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 11.8 tttt -178.71 143.27 0.24 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.883 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 17.8 p -165.4 158.56 16.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.818 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -145.35 159.18 43.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.152 -179.841 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 84.6 t -150.33 143.16 17.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.119 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -126.49 143.57 51.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.846 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 59.9 p -76.84 -10.31 59.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.171 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 74.4 t80 -51.64 -58.27 6.82 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.91 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 53.2 p-10 -150.52 39.13 0.72 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.948 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 51.02 46.21 26.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -80.6 84.39 6.19 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.055 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 31.2 t -83.58 122.84 38.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.126 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 54.4 m-20 -110.25 -173.52 2.27 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.91 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -155.57 178.67 9.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.863 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 25.1 t0 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.852 -179.945 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.807 0.336 . . . . 0.0 110.962 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 37.2 m-85 -142.58 135.63 28.41 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.929 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 14.2 m -93.07 124.73 37.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.176 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -157.55 153.53 24.73 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.446 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.6 170.29 8.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.763 0.315 . . . . 0.0 110.899 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 68.4 m -136.97 156.22 48.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.91 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 2.7 t -104.8 145.61 30.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.152 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.84 -25.16 60.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.921 179.871 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 4.7 p -95.69 17.32 15.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.852 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -179.67 105.29 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.876 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 38.1 t30 -85.98 75.93 9.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.855 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -140.34 136.99 33.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.835 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 4.4 t -75.96 105.08 6.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.866 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.66 52.02 2.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.915 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 28.8 p90 -85.19 179.07 7.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.927 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 5.5 ptpp? -126.38 135.31 51.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.875 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -120.04 176.33 5.48 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.893 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 23.4 t0 71.97 -69.52 0.18 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -177.12 39.92 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.168 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 113.63 14.13 9.83 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.459 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 3.7 mmtt -81.94 116.11 21.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.791 0.329 . . . . 0.0 110.943 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -51.76 127.65 21.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.871 179.862 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 98.1 m -136.94 133.35 35.56 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.149 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 54.6 m-85 -128.26 151.31 49.43 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.887 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 5.9 tp -173.91 122.46 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.01 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.63 115.6 4.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.862 179.88 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 19.7 m -69.19 153.47 95.95 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.637 0.732 . . . . 0.0 110.871 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.77 78.92 0.98 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.677 2.251 . . . . 0.0 112.395 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 16.5 mmtt -144.08 68.05 1.27 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.94 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 5.2 p90 -102.27 110.97 23.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.887 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 52.39 69.04 0.73 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.896 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 8.9 t-20 -178.43 -47.37 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.885 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.24 58.08 0.46 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.91 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.43 153.42 29.69 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.873 179.877 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 36.3 t -52.06 136.51 29.25 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.843 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 43.4 p -138.04 45.96 2.09 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.112 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -176.33 158.44 1.86 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.88 179.851 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -77.9 119.48 21.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.871 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 59.41 55.96 3.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.9 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -60.81 -167.23 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.898 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 4.7 ttpt -113.39 113.62 25.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.813 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -116.93 -169.95 1.74 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.856 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -177.29 156.58 1.24 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.105 -179.794 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 87.8 t -150.25 143.97 17.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.111 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -116.47 130.03 56.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.85 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -73.69 -18.77 60.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.151 -179.887 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 9.2 t80 -51.69 -54.39 28.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.878 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 12.4 p-10 -151.28 39.11 0.66 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.913 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 50.77 54.33 11.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.871 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -90.64 89.16 7.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.116 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 21.6 t -82.66 141.29 15.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.092 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -127.87 137.24 52.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.902 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 15.7 p -96.84 156.53 16.31 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.963 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 37.2 t70 . . . . . 0 C--N 1.327 -0.376 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.897 -179.96 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 19.6 mtpt . . . . . 0 C--O 1.232 0.163 0 CA-C-O 120.743 0.306 . . . . 0.0 110.95 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 51.8 m-85 -149.11 147.58 28.66 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.035 0.445 . . . . 0.0 110.865 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.5 p -102.37 144.77 30.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.113 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -175.32 135.68 3.12 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.447 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.74 173.71 6.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.7 0.286 . . . . 0.0 110.877 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 59.7 m -126.72 154.86 43.59 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.899 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 6.4 p -108.36 145.1 35.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.191 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 6.8 mtmt -57.21 -25.99 59.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.952 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 53.5 p -100.19 17.85 20.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.848 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.0 mttp -179.37 108.67 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.832 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 27.5 t30 -89.33 76.09 7.62 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.891 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 22.6 pt-20 -139.58 153.94 47.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.827 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 3.4 t -87.79 102.43 14.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.892 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -88.68 64.6 7.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.892 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 32.8 p90 -96.62 177.82 5.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.921 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 21.2 mtmt -119.26 141.22 49.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.928 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -126.18 169.22 13.05 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.893 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 13.1 t70 72.21 -69.44 0.19 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.859 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -173.85 40.88 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.154 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 111.96 15.23 10.18 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.515 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -80.04 113.82 18.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.811 0.339 . . . . 0.0 110.85 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -51.87 128.9 25.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.942 179.828 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 97.1 m -138.28 132.09 31.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.112 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 54.4 m-85 -127.68 136.34 51.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.934 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 6.1 tp -157.34 123.06 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.111 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 12.2 pttt -58.46 132.65 54.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.843 179.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 20.1 m -87.43 153.24 53.26 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.624 0.726 . . . . 0.0 110.87 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 76.68 1.13 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.7 2.266 . . . . 0.0 112.348 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.5 mmtt -151.11 46.53 0.83 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.893 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 49.4 p90 -80.41 129.66 34.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.877 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 26.7 m-20 51.48 61.99 2.94 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.828 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 -179.38 -34.75 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.941 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -174.81 56.23 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.87 179.867 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 12.5 mtpt -79.88 56.98 2.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.867 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 36.5 t 64.54 145.02 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.885 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 6.9 p -154.83 37.62 0.41 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.13 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -177.96 131.75 0.15 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.887 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -51.79 120.57 5.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.879 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 62.38 75.66 0.39 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.855 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -79.06 -166.13 0.87 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.834 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 6.0 tttp -117.94 114.85 23.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.911 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -128.44 -172.0 2.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.877 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -174.29 160.79 3.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.177 -179.878 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 96.8 t -147.18 144.03 19.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.116 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -118.69 143.6 46.75 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.86 179.858 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -83.3 -16.61 45.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.137 -179.901 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 61.8 t80 -51.67 -56.93 10.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.939 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 45.2 p-10 -150.38 39.01 0.72 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.899 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 50.93 56.14 8.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.847 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -82.11 91.33 6.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.161 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 94.0 t -80.06 108.4 13.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.091 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -85.95 -172.42 4.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.873 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 16.7 p -154.31 157.75 39.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.877 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 11.1 t70 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.892 -179.928 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.703 0.287 . . . . 0.0 110.916 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 16.5 m-85 -129.95 142.22 50.67 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.942 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 4.0 m -127.74 158.1 38.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.109 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 179.75 -144.95 6.27 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.5 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 10.1 mtpt -145.79 -175.26 4.67 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.824 0.345 . . . . 0.0 110.853 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 60.4 m -144.53 162.23 37.1 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.835 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 16.2 p -112.43 135.12 53.52 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.183 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.65 -30.4 67.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.934 179.88 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 83.4 p -80.42 -24.65 39.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.826 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.58 107.13 5.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.927 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 27.4 t30 -79.92 74.83 6.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.877 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -136.52 134.98 38.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.891 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -70.75 103.85 2.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.884 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -95.36 55.16 1.7 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.87 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 37.3 p90 -79.77 -179.92 7.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.964 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -122.04 138.64 54.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.888 179.891 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -125.01 171.82 9.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.905 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 6.0 t70 72.1 -69.49 0.19 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.983 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -178.36 40.02 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.08 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 117.7 11.23 8.7 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.832 -0.699 . . . . 0.0 112.509 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -85.07 121.44 27.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.79 0.329 . . . . 0.0 110.9 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -51.61 142.91 13.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.866 179.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 3.6 m -147.08 132.04 18.15 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.139 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 13.4 m-85 -133.24 147.61 51.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.857 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 6.1 tt -168.97 37.82 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.172 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 8.8 mttt 55.08 178.18 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.905 179.832 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -129.91 147.83 67.1 Favored Pre-proline 0 C--N 1.327 -0.382 0 CA-C-O 121.651 0.739 . . . . 0.0 110.815 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 71.43 1.51 Allowed 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.688 2.259 . . . . 0.0 112.401 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 15.0 mmtt -140.24 66.16 1.4 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.89 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 27.0 m-85 -79.44 86.33 5.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.845 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 51.52 85.55 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.87 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 6.6 t30 -179.88 -34.95 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.916 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 2.3 tptt -175.27 67.78 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.935 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 27.2 mttt -78.44 165.81 23.35 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.928 179.837 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 3.0 t -51.0 126.53 16.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.855 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 73.0 p -131.18 39.87 3.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.173 -179.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 3.5 tttp -170.22 145.75 2.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.837 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -70.57 120.65 16.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.878 179.82 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 59.21 54.37 4.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.864 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -60.86 -168.38 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.858 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 9.4 ttpt -111.81 114.54 27.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.964 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 14.2 p -122.44 179.85 4.44 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.894 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -178.64 130.57 0.12 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.157 -179.89 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 98.0 t -122.37 143.21 35.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.168 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 16.5 t0 -111.29 139.47 46.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.886 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 18.1 p -77.22 -11.99 59.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.102 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 11.4 t80 -51.3 -54.67 23.9 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.928 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -152.28 39.47 0.58 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.843 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 51.03 43.63 28.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.894 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -84.21 96.97 9.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.095 179.819 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 84.5 t -79.93 144.1 11.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.167 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -138.64 106.1 5.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.859 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.4 t -93.24 167.48 11.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.871 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.9 t0 . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.858 -179.957 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.85 0.357 . . . . 0.0 110.84 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 53.5 m-85 -150.04 133.25 16.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.921 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -99.9 124.22 44.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.221 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -137.86 -150.2 5.65 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.417 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -166.73 152.76 8.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.687 0.28 . . . . 0.0 110.881 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 68.8 m -111.7 156.9 21.16 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.87 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 7.0 p -107.93 140.79 40.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.107 -179.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.4 ptpt -57.08 -21.86 34.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.858 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 40.5 p -79.33 -22.41 44.57 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.91 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -160.35 123.21 3.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.892 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 36.1 t30 -79.48 73.73 6.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.884 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.1 pp20? -136.32 162.66 32.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.858 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 37.4 t -103.03 104.65 14.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.911 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 5.9 ptpt -94.79 56.77 2.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.91 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 17.4 p90 -86.24 -173.14 4.41 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.876 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.92 130.62 45.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.865 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -118.33 173.27 6.91 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.847 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 13.1 t0 72.15 -69.5 0.19 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.891 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -175.75 39.99 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.074 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 113.89 14.48 9.31 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.437 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.57 109.19 15.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.787 0.327 . . . . 0.0 110.869 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -54.0 122.85 10.99 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.853 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 98.8 m -129.06 134.4 48.09 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.116 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 50.8 m-85 -122.98 136.76 54.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.894 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 6.0 tp -160.44 122.81 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.064 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.07 129.93 44.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.906 179.846 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 20.0 m -81.27 153.34 71.56 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.588 0.708 . . . . 0.0 110.871 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 86.63 0.57 Allowed 'Trans proline' 0 N--CA 1.464 -0.222 0 C-N-CA 122.726 2.284 . . . . 0.0 112.386 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 31.9 mmtt -143.94 66.9 1.28 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.89 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 15.1 m-85 -82.77 74.41 9.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.889 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 63.48 87.27 0.11 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.879 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -178.36 -35.53 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.852 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -175.54 58.56 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.87 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 40.5 mtpt -79.97 159.2 26.37 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.858 179.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 20.5 p -52.04 153.18 2.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.838 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 12.6 t -158.47 38.94 0.24 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.175 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 18.7 ttmt 179.5 126.42 0.07 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.862 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -51.68 124.31 12.04 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.86 179.876 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . 0.427 ' N ' HD21 ' A' ' 40' ' ' ASN . 1.4 m-80 59.58 70.88 0.61 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.868 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -92.4 -79.01 0.4 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.93 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 11.5 tttm 179.05 142.52 0.12 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.869 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 2.8 t -154.02 163.09 40.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.877 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -148.64 150.72 33.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.142 -179.89 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 97.5 t -150.16 119.09 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.059 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -103.65 153.16 20.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.939 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 81.5 p -89.64 -16.35 30.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.095 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 71.5 t80 -51.59 -55.11 21.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.904 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 46.5 p30 -149.84 39.08 0.77 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.879 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 7.3 m120 50.61 57.88 6.14 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.843 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -81.25 82.84 7.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.105 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 43.4 t -80.01 95.16 2.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.139 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -81.29 -172.59 3.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.909 179.885 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -166.68 143.79 4.89 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.887 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.837 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 36.7 mtmt . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.819 0.343 . . . . 0.0 110.875 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 31.7 m-85 -146.69 177.8 8.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.919 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -157.39 150.82 23.88 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.158 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -159.53 -168.97 22.26 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.484 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 10.7 mttt -146.02 145.73 30.7 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.739 0.304 . . . . 0.0 110.951 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 87.9 m -88.35 173.91 8.46 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.819 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 18.0 p -124.81 47.45 2.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.145 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 10.2 mttt 63.92 -82.69 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.925 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 91.3 p -62.92 -48.45 78.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.837 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.44 91.38 8.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.876 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 48.1 t30 -78.58 59.12 2.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.892 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 20.5 pt-20 -118.22 151.23 38.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.914 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 39.8 t -89.13 117.84 28.41 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.921 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -101.79 100.74 11.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.939 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 31.3 p90 -132.3 177.32 7.67 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.86 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 2.1 ttmt -107.98 132.79 53.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.886 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -129.25 163.6 25.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.926 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 6.9 t70 71.41 -72.08 0.12 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.797 179.813 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . 178.64 39.89 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.06 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 129.72 -1.28 5.94 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.578 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.1 mtpp -80.02 129.76 34.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.724 0.297 . . . . 0.0 110.892 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -76.28 144.74 40.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.831 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 88.5 m -136.77 129.39 30.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.134 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 45.9 m-85 -131.62 123.37 27.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.881 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 2.8 tt -146.93 118.71 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.118 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.0 123.95 16.96 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.927 179.786 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 8.0 m -75.95 153.95 84.84 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.599 0.714 . . . . 0.0 110.926 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 95.47 0.56 Allowed 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.736 2.291 . . . . 0.0 112.388 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 26.9 mmtm -152.13 64.64 0.83 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.876 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 23.6 m-85 -90.66 102.46 15.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.936 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 51.77 75.52 0.21 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.851 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 38.3 t-20 -174.46 -36.58 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.871 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -176.27 64.86 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.897 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 2.5 mttp -79.38 170.58 16.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.858 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 11.8 t -72.25 153.79 41.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.936 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 9.0 p -154.29 41.25 0.48 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.153 -179.829 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 27.0 tttm 179.95 120.27 0.06 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.866 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -50.13 124.62 10.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.857 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 60.12 67.2 0.88 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.845 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -84.49 -78.45 0.24 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.944 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 5.3 tttt -179.44 138.49 0.14 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.858 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -148.2 157.59 43.58 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.844 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -153.64 150.18 28.34 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.113 -179.862 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 69.2 t -148.78 141.35 18.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.173 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -122.16 158.72 28.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.913 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 19.5 p -96.02 -7.47 36.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.163 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 62.1 t80 -51.72 -52.73 46.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.95 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 39.3 p-10 -150.12 39.12 0.75 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.907 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 50.83 48.09 23.49 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.912 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -88.84 115.45 26.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.137 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 21.7 t -104.93 103.91 16.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.09 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -79.73 169.18 18.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.943 179.88 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -134.14 163.16 30.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.837 -179.872 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.867 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 41.0 mttt . . . . . 0 C--O 1.23 0.046 0 CA-C-O 120.813 0.339 . . . . 0.0 110.89 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 -146.19 152.81 39.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.945 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 14.9 t -139.6 140.1 36.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.166 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -156.89 -146.89 4.6 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.487 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 6.4 mttm -145.96 169.68 18.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.855 0.36 . . . . 0.0 110.846 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 59.6 m -119.3 154.58 33.29 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.832 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.7 t -109.59 141.37 42.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.145 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 13.4 ptmm? -60.11 -24.07 64.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.932 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 93.0 p -79.29 -18.29 52.96 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.896 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -160.53 117.54 2.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.852 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 54.5 t30 -79.58 58.27 2.67 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.892 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 21.6 pt-20 -129.07 133.25 47.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.868 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 2.1 p -58.62 147.69 31.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.861 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.53 82.02 1.98 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.881 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 7.5 p90 -121.79 -169.81 1.94 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.932 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 7.1 pttt -125.38 118.49 26.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.843 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -109.78 160.02 16.69 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.895 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 14.7 t0 72.05 -69.66 0.18 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.798 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -176.36 49.26 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.077 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 99.27 20.04 19.17 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.496 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -79.73 131.01 35.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.774 0.321 . . . . 0.0 110.907 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -67.84 122.95 19.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.886 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 98.1 m -147.99 129.8 15.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.144 -179.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 40.0 m-85 -137.35 127.21 25.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.87 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 2.6 tt -136.25 137.07 48.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.156 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 5.1 mtpt -69.05 134.0 48.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.862 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 14.5 m -84.18 153.73 63.04 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.56 0.695 . . . . 0.0 110.913 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 66.87 1.78 Allowed 'Trans proline' 0 C--O 1.231 0.129 0 C-N-CA 122.69 2.26 . . . . 0.0 112.317 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.3 mptp? -139.96 45.68 1.88 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.894 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 27.1 m-85 -77.55 97.25 4.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.863 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 64.68 41.46 5.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.859 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 19.8 t30 -135.58 -50.0 0.72 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.846 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 4.1 tttt -177.03 55.02 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.903 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 15.1 ptpt -79.63 173.0 13.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.865 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 26.1 t -52.4 151.94 3.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.853 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 11.9 t -139.39 39.74 2.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.184 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -179.39 173.4 1.1 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.898 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -83.06 102.98 12.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.886 179.824 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.7 m120 63.69 77.47 0.32 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.861 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 6.0 m-20 -87.08 -79.64 0.27 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.83 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 12.0 tttt -179.12 142.83 0.2 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.911 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 16.9 p -168.8 169.24 10.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.892 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -144.0 164.72 29.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.169 -179.779 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 94.6 t -150.18 143.7 17.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.154 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -122.74 162.35 22.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.849 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -107.92 -17.72 13.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.166 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 4.9 t80 -51.54 -52.42 47.18 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.906 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 47.6 t30 -151.55 39.3 0.64 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.917 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 50.7 72.5 0.34 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.889 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -109.74 104.71 13.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.072 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 21.4 t -106.36 150.32 9.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.147 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -134.33 -177.04 4.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.825 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 16.3 p -148.97 165.24 32.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.923 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 20.2 t0 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.866 -179.963 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.458 -0.051 0 CA-C-O 120.801 0.334 . . . . 0.0 110.859 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 22.1 m-85 -146.09 163.86 33.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.861 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -148.93 140.93 23.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.175 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -174.96 -157.82 17.37 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.504 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.56 165.37 27.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.76 0.314 . . . . 0.0 110.909 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 10.6 p -114.99 160.55 19.44 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.866 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 6.6 p -105.82 160.65 15.08 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.058 -179.794 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -65.99 -30.73 71.33 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.937 179.862 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 17.4 p -65.92 -20.91 66.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.871 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.1 tmtt? -174.09 127.95 0.37 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.867 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 45.7 t-20 -79.86 67.3 5.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.843 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -119.36 142.19 48.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.845 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 36.0 t -78.36 105.44 9.61 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.884 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -91.97 72.28 5.59 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.835 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 13.8 p90 -103.7 -170.11 1.73 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.922 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -135.18 127.71 30.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.864 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -114.87 166.42 11.79 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.885 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 5.9 t70 71.99 -69.42 0.19 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.916 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -178.17 61.05 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.135 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 90.68 19.54 43.89 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.444 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.83 121.63 25.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.791 0.329 . . . . 0.0 110.932 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -58.38 116.81 3.86 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.877 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 98.2 m -136.83 131.3 33.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.139 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 51.7 m-85 -131.23 129.57 41.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 10.5 tt -140.88 122.61 14.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.138 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -56.23 140.16 45.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.897 179.869 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 17.0 m -104.53 153.37 39.2 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.706 0.765 . . . . 0.0 110.867 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 128.37 15.93 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.732 2.288 . . . . 0.0 112.325 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.39 46.21 1.05 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.914 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 28.3 m-85 -79.13 84.16 5.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.841 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 51.75 39.24 25.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.842 179.88 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 9.3 t-20 -125.3 -35.79 2.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.837 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.4 mmtt 178.25 75.49 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.853 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.2 mttm -77.45 131.02 37.77 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.958 179.784 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 14.7 p -51.15 145.85 7.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.897 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 8.7 p -154.31 39.01 0.45 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.106 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 178.08 127.42 0.05 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.874 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -48.24 126.4 11.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.852 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 59.61 72.06 0.55 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.874 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -89.7 -79.63 0.33 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.927 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 179.35 144.55 0.16 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.863 179.854 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 28.8 p -169.65 147.57 3.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.889 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -132.1 158.88 40.49 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.099 -179.806 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 93.2 t -150.24 137.74 13.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.201 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -117.54 157.33 26.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.879 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 26.4 p -98.95 -9.55 23.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.096 -179.849 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 70.7 t80 -51.76 -51.29 57.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.841 -179.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 38.2 p30 -149.41 39.03 0.8 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.905 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 50.6 59.81 4.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.846 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -91.46 140.51 29.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.107 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 16.0 t -133.41 128.62 55.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.147 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -120.81 170.25 9.65 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.823 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 20.6 p -127.34 166.12 18.43 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.891 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 9.7 t0 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.84 -179.93 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 37.3 mtpt . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.785 0.326 . . . . 0.0 110.939 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 27.1 m-85 -142.95 115.55 8.62 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.994 0.425 . . . . 0.0 110.932 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 15.0 t -104.02 138.18 40.93 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.095 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -163.61 -155.84 8.41 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.419 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 19.8 mtpp -138.78 -172.29 3.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.766 0.317 . . . . 0.0 110.933 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -125.67 -176.18 3.54 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.921 179.9 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 2.2 t -146.47 137.39 24.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.123 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.8 mtpm? -53.9 -30.33 45.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.906 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 12.5 p -60.01 -24.12 64.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.855 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -175.46 130.54 0.27 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.941 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 13.3 t30 -78.51 70.12 4.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.869 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 21.1 pt-20 -127.26 139.39 52.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.889 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 34.9 t -60.77 135.49 57.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.892 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 6.1 ttpp -123.11 97.13 5.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.866 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 24.3 p90 -127.55 176.94 7.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.963 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.43 128.81 52.54 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.937 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -119.39 167.72 11.65 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.833 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 24.4 t0 71.99 -69.56 0.18 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.869 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -171.48 41.51 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.068 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 109.15 17.04 10.47 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.538 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 3.5 tmtt? -83.16 112.72 20.09 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.748 0.309 . . . . 0.0 110.952 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -54.73 123.62 13.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.828 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 89.9 m -132.24 145.62 51.44 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.156 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 12.5 m-85 -140.75 160.93 38.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.828 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.466 ' O ' ' HG2' ' A' ' 27' ' ' LYS . 2.2 tt -169.84 39.67 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.154 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.466 ' HG2' ' O ' ' A' ' 26' ' ' ILE . 0.0 OUTLIER 56.56 172.45 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.917 179.898 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -131.63 149.87 74.7 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.636 0.731 . . . . 0.0 110.849 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.66 84.64 0.63 Allowed 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.728 2.286 . . . . 0.0 112.38 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 39.1 mmtm -153.31 60.96 0.76 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.846 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 37.0 m-85 -79.89 93.05 5.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.878 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 51.26 82.05 0.06 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.902 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 5.8 t30 179.82 -34.68 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.902 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.9 mttt -169.59 67.2 0.06 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.898 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.72 154.3 32.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.941 179.837 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 49.3 t -50.97 145.64 7.08 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.836 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 8.6 p -154.3 40.34 0.47 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.173 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 179.02 120.9 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.881 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -49.73 125.45 11.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.832 179.891 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 57.3 69.22 0.76 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.909 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 6.2 m-20 -83.88 -80.74 0.18 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.896 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 1.5 ttmt -179.71 143.67 0.19 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.868 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 12.2 m -151.1 176.93 10.69 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.921 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -178.38 145.88 0.35 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.128 -179.877 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 92.7 t -147.34 142.34 19.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.078 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -112.88 131.31 55.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.847 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 68.2 p -64.98 -15.53 62.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.115 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 80.8 t80 -51.69 -57.2 9.88 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.904 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 52.5 p-10 -151.4 39.23 0.65 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.897 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 50.78 46.58 25.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.896 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -79.86 96.63 6.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.154 179.866 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 21.4 t -79.95 150.35 4.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.106 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -146.78 90.83 1.95 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.877 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -63.01 177.2 0.61 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.877 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 43.9 t0 . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.86 -179.984 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.855 0.36 . . . . 0.0 110.904 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 12.5 m-85 -145.63 171.37 14.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.895 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -150.74 166.54 30.13 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.128 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 168.67 176.84 39.2 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.407 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.5 mttm -115.36 169.52 9.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.794 0.331 . . . . 0.0 110.91 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -101.2 -179.02 3.92 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.86 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -135.46 132.1 36.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.134 -179.866 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 21.4 mtmt -53.72 -31.86 49.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.948 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 43.6 p -81.76 -25.01 35.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.884 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.91 114.39 5.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.873 179.871 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 35.7 t30 -80.0 73.67 6.78 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.949 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 18.4 pt-20 -138.2 155.68 48.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.947 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 37.5 t -90.85 113.67 25.9 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.882 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.73 100.87 12.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.905 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 35.1 p90 -133.0 176.89 8.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.906 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 2.4 ttmt -108.57 134.14 51.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.909 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -131.27 178.16 6.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.898 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 25.9 t70 64.15 -81.72 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.857 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -170.76 47.82 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.127 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 114.34 9.31 15.36 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.516 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 41.3 tttp -87.1 143.02 27.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.786 0.327 . . . . 0.0 110.866 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -87.3 143.2 27.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.87 179.814 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 97.1 m -146.44 134.88 21.96 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.13 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 55.8 m-85 -128.07 117.33 21.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.919 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 6.1 tp -123.44 123.92 68.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.145 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 25.1 mttp -77.24 117.57 18.89 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.904 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 19.5 m -68.87 153.26 96.22 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.616 0.722 . . . . 0.0 110.938 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 68.24 1.7 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.7 2.267 . . . . 0.0 112.37 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 20.7 mmtp -144.3 54.61 1.27 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.889 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 26.3 p90 -99.78 41.06 1.18 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.894 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 174.73 -25.89 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.899 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -102.17 -17.45 15.98 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.931 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -179.58 72.71 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.931 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.41 50.41 1.1 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.892 179.879 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 8.2 t 62.12 159.25 0.06 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.852 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 12.6 t -174.81 38.91 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.137 -179.869 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.5 ttmt 176.93 118.01 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.941 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -49.49 113.01 0.73 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.89 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.4 m120 64.35 71.58 0.47 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.911 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -81.76 -79.48 0.17 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.858 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 5.5 tttt -179.43 143.6 0.2 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.888 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -153.67 171.14 19.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.896 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -158.46 150.51 21.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.16 -179.857 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 88.1 t -148.75 137.62 15.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.204 179.85 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -123.77 158.64 31.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.818 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 55.8 p -93.54 -9.07 39.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.094 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 5.0 t80 -51.69 -56.63 12.57 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.938 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 6.6 t30 -151.48 39.25 0.64 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.87 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 50.91 56.53 7.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.907 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -88.36 108.56 19.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.102 179.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 21.9 t -102.54 113.02 37.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.104 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -106.42 178.07 4.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.843 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -142.07 176.86 8.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.918 -179.858 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 44.5 t0 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.886 179.996 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 2.9 mtpm? . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.828 0.347 . . . . 0.0 110.889 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 51.6 m-85 -138.11 132.92 32.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.926 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -86.26 128.47 34.92 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.129 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -159.15 173.08 35.95 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.516 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.5 169.6 17.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.757 0.313 . . . . 0.0 110.944 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 6.0 p -137.64 156.38 48.11 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.937 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 3.8 t -98.35 148.25 23.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.16 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.37 -21.86 38.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.933 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 4.8 p -87.58 -20.21 26.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.829 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.3 tppt? -145.62 112.49 6.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.877 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 52.1 t30 -81.52 56.89 3.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.871 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -118.8 141.49 48.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.919 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 34.4 t -84.62 113.98 21.66 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.934 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.75 76.27 2.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.874 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 46.1 p90 -104.71 174.78 5.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.938 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -105.16 135.49 46.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.892 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -134.45 164.8 26.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.844 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 19.4 t0 71.5 -71.66 0.13 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.828 179.852 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . 178.92 39.87 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.087 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 128.79 -1.3 6.33 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.517 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 5.1 mmtp -79.84 120.75 24.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.79 0.329 . . . . 0.0 110.869 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 26.5 m-20 -75.63 119.28 19.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.873 179.839 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 18.4 m -105.62 133.47 50.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.176 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 46.2 m-85 -129.49 122.34 29.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.848 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 5.2 tp -152.68 117.83 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.092 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -52.72 129.36 29.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.947 179.816 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 7.0 m -79.37 154.07 76.68 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-O 121.612 0.72 . . . . 0.0 110.854 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 85.12 0.63 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.638 2.225 . . . . 0.0 112.362 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 7.9 mmtt -148.31 72.66 1.21 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.906 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.438 ' O ' ' N ' ' A' ' 33' ' ' ASN . 40.7 m-85 -73.11 -164.57 0.18 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.842 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -49.11 90.85 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.871 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.438 ' N ' ' O ' ' A' ' 31' ' ' PHE . 0.5 OUTLIER 177.65 -51.58 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.896 -179.88 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 8.1 mmtm -153.57 60.36 0.75 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.866 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.39 164.53 24.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.947 179.81 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 23.3 p -51.29 140.73 16.36 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.852 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 17.2 p -151.27 47.08 0.83 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.133 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.83 146.66 0.74 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.887 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -71.23 119.72 15.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.891 179.846 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 60.45 57.49 2.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.856 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -61.13 -166.85 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.86 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -110.86 113.17 25.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.925 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 1.2 m -128.55 172.97 10.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.839 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -164.75 165.47 20.69 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.15 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 66.6 t -149.79 128.75 3.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.122 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -106.46 124.47 49.65 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.864 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -73.07 -13.47 61.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.154 -179.891 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 66.3 t80 -51.95 -45.73 64.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.879 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 79.3 m-20 -146.54 38.17 1.02 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.871 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 47.58 44.78 17.42 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.929 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -83.62 149.69 26.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.146 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 21.1 t -133.04 107.54 11.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.154 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -80.98 153.95 27.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.908 179.899 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -136.3 137.6 40.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.876 -179.883 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 7.8 t0 . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.832 -179.94 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.831 0.348 . . . . 0.0 110.915 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 45.2 m-85 -129.74 165.64 21.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.912 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 15.2 t -145.82 133.76 21.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.125 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -150.97 -138.62 2.86 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.484 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 9.3 mtmm -144.21 169.75 17.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.827 0.346 . . . . 0.0 110.908 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 2.1 p -135.8 150.28 49.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.811 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -89.38 147.31 24.12 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.146 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -55.11 -74.68 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.837 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 52.6 p -58.99 -34.75 72.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.861 -179.849 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.91 93.3 4.46 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.868 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 28.8 t30 -79.39 72.45 6.01 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.948 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -137.55 143.26 41.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.934 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 54.0 t -86.19 116.71 24.55 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.93 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -104.07 59.79 0.73 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.885 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 10.4 p90 -91.29 -172.62 3.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.95 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 17.0 mttp -126.81 126.71 43.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.879 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -115.01 168.27 10.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.86 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 6.3 t0 71.71 -70.24 0.16 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.855 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -179.16 39.9 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.074 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 122.02 7.66 7.73 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.546 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.83 107.91 12.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.787 0.327 . . . . 0.0 110.938 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -56.19 129.3 39.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.903 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 99.8 m -128.49 130.97 48.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.251 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 54.5 m-85 -128.7 118.39 22.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.85 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 9.6 tt -147.0 109.19 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.191 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.36 131.61 28.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.902 179.891 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 10.2 m -74.08 152.84 88.58 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.638 0.732 . . . . 0.0 110.889 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 64.82 1.84 Allowed 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.68 2.254 . . . . 0.0 112.39 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.8 mptp? -142.18 45.23 1.66 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.896 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 19.0 m-85 -78.75 120.65 23.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.86 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 64.49 15.03 9.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.896 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 2.9 m-80 -127.88 -36.23 2.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.895 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 10.2 ttmt -175.58 64.05 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.855 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 21.3 mtpt -77.83 59.13 2.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.936 179.805 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 19.5 t 64.2 153.64 0.05 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.831 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 24.3 p -148.76 39.02 0.85 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.191 -179.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 177.98 130.2 0.06 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.955 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -50.34 123.26 8.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.884 179.881 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 50.22 52.79 14.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -60.23 -169.54 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.926 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 4.8 tttt -103.3 110.98 23.17 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.924 179.856 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 15.7 p -119.73 -170.0 1.87 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.902 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -169.3 158.43 8.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.111 -179.838 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 88.0 t -150.46 102.84 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.136 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -86.55 141.51 28.99 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.802 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -88.94 -21.25 23.67 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.177 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 12.2 t80 -47.65 -46.91 29.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.95 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 36.7 t30 -152.93 38.08 0.51 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.858 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 47.11 68.48 0.63 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.845 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -99.12 103.58 15.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.088 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 19.7 t -97.47 130.76 45.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.105 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 75.9 m-20 -130.9 167.04 19.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.898 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 16.7 p -151.91 165.33 34.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.863 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.82 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 2.3 pttt . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.759 0.314 . . . . 0.0 110.943 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 69.8 m-85 -120.07 145.81 46.52 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.919 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 10.1 m -112.05 124.22 51.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.181 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -145.72 -138.27 3.21 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.453 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -162.43 176.47 10.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.766 0.317 . . . . 0.0 110.897 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.524 ' HG ' ' N ' ' A' ' 13' ' ' GLU . 0.5 OUTLIER -118.1 -176.85 3.14 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.88 179.966 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -125.78 134.84 51.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.138 -179.891 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 14.2 ptpt -54.05 -36.98 63.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.892 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 2.8 p -97.07 21.56 9.64 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.862 -179.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -179.51 104.99 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.864 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 45.6 t30 -79.87 62.73 4.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.933 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.524 ' N ' ' HG ' ' A' ' 7' ' ' CYS . 17.9 pt-20 -131.24 136.01 47.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.89 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 2.5 p -62.63 147.4 49.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.924 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 3.4 ptmm? -134.23 75.03 1.57 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.928 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 8.4 p90 -117.16 -171.29 2.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.9 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 21.0 mttt -124.05 120.41 32.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.859 179.871 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -110.88 161.11 16.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.917 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 6.2 t70 71.83 -69.69 0.18 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.86 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -178.22 40.14 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.104 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 111.59 16.44 9.4 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.517 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -79.92 111.36 16.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.771 0.319 . . . . 0.0 110.896 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 32.7 m-20 -52.86 127.25 22.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.932 179.843 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 99.2 m -149.29 129.43 13.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.148 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 38.7 m-85 -135.4 124.62 24.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.931 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 2.9 tp -137.48 128.66 39.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.112 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 14.3 mttt -61.77 136.11 57.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.953 179.823 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 9.6 m -88.54 144.49 33.7 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.622 0.725 . . . . 0.0 110.904 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 64.84 1.81 Allowed 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.717 2.278 . . . . 0.0 112.332 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 11.5 mmtp -144.39 53.01 1.26 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.904 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 32.3 p90 -98.98 39.7 1.26 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.907 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 174.89 -26.16 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.899 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 9.5 m-20 -102.84 -16.36 15.93 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.848 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 3.2 tptt -176.01 69.83 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.93 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -77.82 105.83 9.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.861 179.898 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 1.3 m -52.27 131.72 33.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.843 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 21.0 p -138.94 39.87 2.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.116 -179.846 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.72 154.58 42.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.92 179.817 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -86.17 115.05 23.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.889 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 65.87 29.99 10.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.86 -179.887 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -51.44 -77.39 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.906 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 6.1 ttpt 179.78 148.71 0.29 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.916 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -162.88 172.46 15.1 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.876 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -159.3 155.56 27.1 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.092 -179.843 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 78.5 t -150.91 105.02 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.152 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -88.84 121.02 30.78 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.913 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -73.3 -14.69 61.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.194 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 4.8 t80 -50.75 -48.68 59.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.927 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -151.27 38.8 0.65 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.861 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 49.5 59.78 4.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.888 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -104.78 105.87 16.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.073 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 12.3 t -100.47 141.75 16.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.108 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -118.8 -171.46 2.1 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.868 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -156.29 162.3 40.12 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.884 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 26.3 t0 . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.936 179.987 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.158 0 CA-C-O 120.798 0.332 . . . . 0.0 110.926 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 17.4 m-85 -142.83 159.22 42.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.893 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 15.0 t -143.96 140.15 29.49 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.116 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -162.56 -163.46 15.34 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.513 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -146.7 155.78 42.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.775 0.322 . . . . 0.0 110.903 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 39.2 m -113.28 153.95 27.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.882 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 14.6 t -100.74 164.63 11.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.08 -179.807 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 11.0 mtpt -66.8 -26.7 67.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.942 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 58.9 p -99.69 20.05 14.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.856 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -179.95 113.3 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.878 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 51.8 t30 -94.47 62.31 2.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.844 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 22.4 pt-20 -128.0 142.79 51.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.846 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 17.1 t -81.0 110.07 16.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.942 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -89.44 68.59 7.89 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.92 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 32.0 p90 -103.74 177.61 4.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.987 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 9.0 mttp -121.79 139.39 53.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.943 179.86 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -123.59 169.7 11.18 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.842 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 20.0 t0 72.12 -69.47 0.19 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.867 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -175.51 41.34 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.133 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 113.82 13.47 10.24 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.528 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -80.0 112.9 17.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.774 0.321 . . . . 0.0 110.88 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -51.95 130.5 29.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.934 179.817 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 96.9 m -138.93 130.33 27.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.12 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 49.4 m-85 -130.49 133.01 45.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.882 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 12.6 tt -156.41 121.14 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.115 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.4 mmtt -58.78 129.55 42.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.938 179.799 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 15.7 m -81.1 151.34 69.91 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.622 0.725 . . . . 0.0 110.859 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.68 72.24 1.42 Allowed 'Trans proline' 0 C--N 1.34 0.131 0 C-N-CA 122.727 2.285 . . . . 0.0 112.357 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.27 68.9 1.33 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.902 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.455 ' O ' ' N ' ' A' ' 33' ' ' ASN . 42.3 m-85 -73.11 -164.12 0.17 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.843 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -47.05 91.25 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.87 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.455 ' N ' ' O ' ' A' ' 31' ' ' PHE . 4.9 t30 175.87 -52.55 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.856 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 3.5 ttpt -149.38 56.12 0.98 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.95 179.834 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -79.28 174.13 11.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.911 179.859 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 10.2 t -67.67 149.78 49.58 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.888 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 40.1 p -146.43 39.92 1.09 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.173 -179.849 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 179.26 122.97 0.05 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.819 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -50.89 114.3 1.13 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.847 179.89 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 62.59 75.37 0.4 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.879 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -88.31 -79.38 0.3 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.874 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 7.5 tttt -179.47 130.89 0.1 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.891 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -138.87 -179.73 6.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.847 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -172.43 149.05 2.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.125 -179.875 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 97.3 t -149.04 138.82 16.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.166 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -114.95 146.56 41.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.847 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 48.2 p -82.11 -13.74 56.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.13 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 5.0 t80 -51.66 -55.35 19.92 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.932 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 3.9 t30 -151.47 39.22 0.64 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.928 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 50.78 46.26 26.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.899 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -83.51 108.3 16.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.121 179.866 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 20.7 t -99.81 150.69 5.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.084 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -129.09 175.6 8.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.825 179.874 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 16.6 p -137.04 156.21 48.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.918 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 48.0 t0 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.88 -179.916 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 27.0 mttp . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.861 0.363 . . . . 0.0 110.92 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 90.1 m-85 -142.62 128.1 18.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.937 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 15.2 t -81.11 134.55 35.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.15 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -171.02 -170.1 34.81 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.471 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.39 169.47 21.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.758 0.313 . . . . 0.0 110.955 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 18.9 m -118.53 167.26 11.78 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.904 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 8.3 p -119.4 147.26 44.57 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.157 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.16 -25.3 58.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.901 179.858 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.0 p -102.78 17.43 23.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.831 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -179.54 96.44 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.935 179.888 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 42.5 t30 -79.92 64.57 4.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.875 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 23.0 pt-20 -137.18 134.25 36.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.891 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 2.1 t -72.93 96.75 2.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.88 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 3.8 mtmt -81.19 61.82 4.88 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.859 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 29.1 p90 -96.57 178.82 5.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.915 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 8.5 ptpt -122.03 139.51 53.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.878 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -126.79 168.58 14.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.825 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 6.2 t70 72.02 -69.75 0.18 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.863 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -178.47 56.62 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.103 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 93.89 20.28 31.59 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.471 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.7 156.71 27.42 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.804 0.335 . . . . 0.0 110.917 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -89.74 112.41 23.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.859 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 96.2 m -137.37 124.79 21.99 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.075 -179.833 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 36.1 m-85 -125.4 147.58 49.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.87 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 4.7 tp -158.5 115.07 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.121 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 7.1 ttmm -64.35 112.36 3.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.857 179.808 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 56.5 m -51.8 152.77 4.86 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-O 121.599 0.714 . . . . 0.0 110.928 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 75.31 1.22 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.665 2.243 . . . . 0.0 112.361 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 6.1 mmtp -144.0 68.39 1.27 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.865 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 2.8 p90 -96.54 88.32 4.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.847 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 9.5 t70 64.09 68.21 0.57 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.835 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 10.2 t30 -162.33 -49.72 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.922 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -176.88 55.47 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.879 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.61 174.86 11.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.871 179.876 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 37.7 t -51.47 149.49 4.24 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.832 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 38.9 p -136.74 39.68 2.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.163 -179.866 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -177.85 178.44 0.97 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.902 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -90.74 118.37 30.12 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.847 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 54.08 70.66 0.58 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.937 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 -79.89 -82.62 0.11 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.957 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 22.8 tttt 177.67 119.11 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.894 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 65.4 m -145.88 163.95 33.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.796 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 12.6 p -154.21 115.93 4.19 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.063 -179.865 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.401 ' HA ' ' HA ' ' A' ' 52' ' ' VAL . 39.1 t -87.17 141.08 14.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.134 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 63.9 t0 -117.32 110.47 18.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.839 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -68.64 -11.92 60.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.156 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 48.3 t80 -51.61 -55.19 20.69 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.91 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 34.9 p30 -150.76 39.83 0.72 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.896 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 4.9 m120 52.18 59.0 4.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.896 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -123.94 86.22 2.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.119 179.859 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.401 ' HA ' ' HA ' ' A' ' 45' ' ' VAL . 7.4 p -87.93 147.09 5.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.119 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -108.75 164.25 12.54 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.862 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 21.8 t -144.09 153.84 42.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.913 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.1 t70 . . . . . 0 C--N 1.328 -0.364 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.841 179.987 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 12.6 mttt . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.739 0.304 . . . . 0.0 110.929 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 9.1 m-30 -101.0 135.87 41.75 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.01 0.433 . . . . 0.0 110.881 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 28.3 m -79.73 95.05 5.86 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.181 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -111.48 177.67 19.07 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.489 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 16.7 mtpt -143.98 157.22 44.48 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.728 0.299 . . . . 0.0 110.906 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 5.8 p -128.26 155.17 45.0 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.877 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -97.25 147.72 23.84 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.039 -179.779 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 12.7 mtmt -53.21 -65.56 0.54 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.936 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.1 p -57.42 -47.56 81.42 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.805 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -110.97 96.7 6.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.893 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 62.5 t30 -79.21 76.45 5.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.937 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -131.64 149.8 52.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.884 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -79.8 116.38 19.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.86 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 15.6 tttt -118.7 91.19 3.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.859 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 12.8 p90 -126.89 175.51 7.99 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.942 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 13.2 ttpt -100.97 116.03 31.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.907 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -118.14 157.83 26.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.879 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 6.0 t70 71.67 -70.92 0.14 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.889 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -179.41 40.99 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.118 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 110.63 16.79 9.73 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.446 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 12.5 mmtt -79.73 108.58 13.4 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.738 0.304 . . . . 0.0 110.888 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -59.9 96.96 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.92 179.817 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 83.3 m -119.02 132.6 56.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.14 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 45.5 m-85 -122.64 144.33 49.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.821 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -156.67 120.22 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.17 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 10.4 mttt -50.37 151.94 2.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.862 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 56.2 m -114.77 157.07 44.02 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.675 0.75 . . . . 0.0 110.89 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 143.59 51.21 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.668 2.245 . . . . 0.0 112.328 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -163.61 49.91 0.14 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.898 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 3.6 p90 -79.52 62.24 3.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.86 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 66.37 64.77 0.5 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.827 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 179.88 -32.81 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.933 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -135.41 49.66 2.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.891 179.826 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 2.7 mttp -79.13 130.33 35.39 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.905 179.833 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 7.7 t -61.61 137.04 58.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.941 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 7.2 p -154.79 41.22 0.45 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.147 -179.853 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -179.82 125.5 0.08 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.848 179.902 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -50.72 122.04 6.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.825 179.871 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 61.15 62.19 1.44 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.864 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -70.48 -164.36 0.08 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.862 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 1.9 ttpt -106.74 110.01 22.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.87 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 1.3 m -107.94 -176.69 3.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.86 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -157.56 143.17 17.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.102 -179.85 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 75.8 t -147.5 106.62 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.094 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -79.97 145.24 32.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.928 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 19.0 p -90.63 -19.97 23.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.102 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 27.0 t80 -51.75 -47.75 63.97 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.901 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 34.7 p30 -155.02 39.75 0.42 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.94 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 4.7 m120 51.2 59.43 4.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.854 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -85.0 91.72 8.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.135 179.831 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 18.7 t -81.18 137.27 21.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.12 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -150.36 124.72 9.53 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.794 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.7 t -86.29 167.04 15.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.84 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.912 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 34.4 mtmt . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.847 0.356 . . . . 0.0 110.899 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 97.3 m-85 -145.4 126.4 14.56 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.994 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 15.3 t -101.53 133.96 45.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.153 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -153.93 -130.38 1.43 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.497 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -169.33 155.92 6.6 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.757 0.313 . . . . 0.0 110.929 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 1.9 p -127.04 149.63 49.82 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.93 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 10.5 p -91.44 142.17 27.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.164 -179.863 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 16.7 ptmt -50.99 -36.88 41.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.903 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 34.6 p -75.58 -31.46 60.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.908 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.47 104.69 7.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.921 179.904 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 25.9 t30 -79.38 73.5 6.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.819 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -140.56 152.54 45.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.896 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 36.7 t -95.37 115.81 27.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.878 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.22 67.48 1.59 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.858 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 19.5 p90 -94.92 -170.13 2.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.868 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 2.9 mttt -129.85 130.11 44.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.897 179.86 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -120.78 169.88 9.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.897 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 5.5 t70 71.81 -70.13 0.17 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.908 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -178.92 63.62 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.144 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 90.74 18.87 46.22 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.463 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 10.1 tttt -79.51 179.59 7.38 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.814 0.34 . . . . 0.0 110.94 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -114.92 129.26 56.67 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.897 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 96.7 m -142.97 128.01 18.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.16 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 45.5 m-85 -127.83 120.02 26.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.861 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 3.9 tp -135.32 109.45 10.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.083 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.03 115.77 3.37 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.866 179.878 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 52.3 m -52.91 152.96 6.5 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.642 0.734 . . . . 0.0 110.859 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 79.19 0.95 Allowed 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.664 2.243 . . . . 0.0 112.356 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 11.0 mmtt -147.08 62.3 1.18 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.883 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 16.3 m-85 -87.65 98.88 11.67 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.896 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 16.6 t0 56.82 73.68 0.44 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.874 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -178.45 -48.18 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.885 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.9 mptt -156.62 59.58 0.55 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.824 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.4 125.9 30.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.835 179.878 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -53.76 138.73 34.82 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.831 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 4.4 t -135.16 60.31 1.7 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.167 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -160.72 112.88 1.94 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.96 179.87 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -49.66 128.05 17.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.897 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 62.63 38.92 11.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.906 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -60.34 -169.8 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.903 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -109.43 107.96 18.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.949 179.816 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 11.2 p -131.07 154.58 48.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.864 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 36.9 p -147.47 118.46 7.68 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.149 -179.826 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 61.6 t -92.64 142.69 12.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.109 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 19.3 t0 -111.6 126.55 55.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.856 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -83.83 -10.82 57.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.107 -179.896 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -51.46 -57.16 9.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.912 -179.832 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 19.8 t30 -155.5 39.58 0.39 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.86 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.1 m120 60.28 69.65 0.68 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.898 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -132.26 83.54 2.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.138 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 11.2 p -89.79 145.77 7.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.161 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 78.7 m-20 -99.32 -175.62 3.06 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.951 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 14.8 p -148.09 151.59 35.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.872 -179.857 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 16.0 t70 . . . . . 0 C--N 1.328 -0.354 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.935 179.974 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 39.1 mttt . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.82 0.343 . . . . 0.0 110.831 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 92.1 m-85 -153.12 125.62 8.18 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.881 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 5.9 m -97.47 151.42 20.01 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.112 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -160.13 -136.29 2.0 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.467 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.416 ' HB2' ' HA ' ' A' ' 40' ' ' ASN . 0.0 OUTLIER -163.67 142.1 7.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.732 0.301 . . . . 0.0 110.886 -179.977 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 89.4 m -101.8 173.65 6.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.849 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 4.6 p -116.88 135.49 53.68 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.199 -179.846 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.25 -21.59 48.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.942 179.865 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 90.3 p -100.6 16.02 26.16 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.829 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -174.72 108.88 0.12 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.918 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 34.4 t30 -84.5 76.13 10.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.896 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -135.38 137.16 42.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.859 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -69.28 108.81 3.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.872 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.41 108.54 20.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.943 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 17.3 p90 -136.6 173.67 11.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.925 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 9.5 mttp -110.71 122.18 47.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.861 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -111.91 166.33 11.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.881 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 5.1 t70 71.98 -69.4 0.19 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.928 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -173.84 43.76 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.034 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 111.27 14.26 12.07 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.475 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.98 113.87 23.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.822 0.344 . . . . 0.0 110.821 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -51.8 148.17 6.01 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.836 179.844 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 14.1 m -149.65 135.36 18.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.201 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 17.3 m-85 -132.13 135.79 46.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.92 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -154.08 38.55 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.12 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 54.57 179.83 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.921 179.856 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.1 m -132.57 144.32 52.48 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-O 121.655 0.74 . . . . 0.0 110.892 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 70.97 1.56 Allowed 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.681 2.254 . . . . 0.0 112.358 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 14.8 mmtt -139.05 65.53 1.44 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.907 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 26.0 m-85 -80.2 86.56 5.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.892 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 10.7 t70 51.42 86.18 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -179.33 -40.25 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.876 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 7.8 tttp -174.97 66.48 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.866 179.867 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.2 mppt? -78.92 177.71 8.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.893 179.83 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 25.1 p -51.23 155.31 1.39 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.866 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 12.1 t -160.05 39.52 0.18 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.13 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.7 tmtt? -179.74 151.12 0.43 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.896 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -75.45 105.66 6.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.96 179.797 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . 0.416 ' HA ' ' HB2' ' A' ' 6' ' ' LYS . 1.2 m120 68.13 42.74 1.71 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.897 -179.838 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.2 p30 -54.75 -75.6 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.869 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 11.2 ttpt 178.09 146.95 0.14 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.913 179.875 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 3.1 p -150.58 176.56 10.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.834 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -166.2 144.23 5.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.174 -179.877 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 70.2 t -137.8 140.39 41.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.158 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 23.0 t0 -121.05 95.51 4.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.911 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.4 t -61.16 -16.32 43.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.19 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 91.6 t80 -51.5 -40.77 60.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.947 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 25.3 t30 -146.78 37.39 0.98 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.873 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 48.14 60.64 3.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.948 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -100.53 158.33 16.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.083 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 23.4 t -145.81 135.33 17.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.056 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -133.07 -176.12 4.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.832 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.6 t -164.96 166.89 19.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.845 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 17.8 t0 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.876 -179.987 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.913 0.387 . . . . 0.0 111.069 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -162.28 167.72 23.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.882 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 11.4 m-85 -145.42 155.56 43.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.946 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 2.0 m -134.97 144.91 47.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.179 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -166.89 -154.45 8.42 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.526 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -144.19 170.96 14.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.797 0.332 . . . . 0.0 110.882 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 9.3 m -111.52 170.48 8.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.891 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -119.41 131.65 55.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.118 -179.862 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.29 -34.6 47.35 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.925 179.872 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 54.6 p -82.7 -25.77 32.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.91 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -145.0 111.73 5.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.894 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 27.0 t30 -79.92 74.0 6.68 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.861 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -135.98 151.93 50.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.886 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 25.9 t -87.69 105.1 17.14 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.843 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.69 61.28 6.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.885 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 21.5 p90 -96.56 -170.27 2.04 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.92 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -130.81 133.89 46.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.931 179.871 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -118.6 168.37 10.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.905 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 25.2 t0 72.12 -69.42 0.19 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.872 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -173.96 44.81 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.134 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 106.37 17.53 12.36 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.541 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 3.2 tmtt? -79.85 115.91 19.71 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.767 0.317 . . . . 0.0 110.901 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -51.87 124.59 12.99 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.805 179.867 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 97.2 m -137.65 133.01 33.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.201 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 54.5 m-85 -130.6 112.74 13.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.857 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 6.1 tp -128.47 123.81 60.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.166 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 12.8 mtpt -66.95 127.21 31.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.915 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 19.9 m -73.02 153.65 90.82 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.566 0.698 . . . . 0.0 110.892 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.81 82.57 0.75 Allowed 'Trans proline' 0 C--N 1.34 0.121 0 C-N-CA 122.712 2.274 . . . . 0.0 112.32 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 3.7 mmtm -145.14 67.77 1.24 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.948 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 16.5 m-85 -79.74 108.1 13.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.859 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 51.74 32.29 9.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.9 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -125.52 -37.42 2.35 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.933 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 5.2 mttt -179.4 71.2 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.879 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 13.8 mtpp -83.31 53.98 2.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.879 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 19.7 t 64.03 153.27 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.938 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 7.5 p -154.76 39.12 0.43 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.197 -179.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 178.33 130.74 0.07 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.891 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -51.9 120.81 5.71 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.851 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 51.75 53.49 12.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.895 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -61.2 -76.53 0.05 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.935 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 18.8 tttt -179.3 143.69 0.21 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.879 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -152.21 167.26 29.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.907 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -165.23 138.23 4.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.112 -179.819 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 95.8 t -131.04 144.24 38.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.062 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -125.6 138.12 53.92 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.826 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 67.6 p -73.22 -10.56 59.89 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.161 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 9.6 t80 -51.58 -58.1 7.26 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.879 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 45.1 p30 -151.68 39.35 0.63 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.863 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 50.96 47.81 24.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.85 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -87.54 100.1 12.53 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.085 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 21.4 t -96.94 112.88 29.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.151 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 22.1 m-20 -84.53 179.95 7.28 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.973 179.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 16.6 p -150.18 146.65 26.99 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.872 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 22.0 t0 . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.912 179.95 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.806 0.336 . . . . 0.0 111.148 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 47.9 mtmt -151.78 170.07 20.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.87 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 15.7 m-85 -145.59 146.53 31.41 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.902 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 25.9 p -133.16 143.43 49.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.149 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -170.92 -150.13 6.85 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.444 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -148.76 166.49 28.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.785 0.326 . . . . 0.0 110.916 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 82.4 m -115.75 158.53 22.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.897 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 2.0 t -108.29 142.59 38.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.178 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 10.9 ptmm? -55.86 -26.12 45.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.954 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.2 p -74.63 -25.27 59.12 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.858 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -155.69 117.3 3.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.928 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 49.2 t30 -79.9 66.02 5.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.904 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 17.1 pt-20 -132.53 150.06 52.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.844 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 38.3 t -78.61 113.41 16.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.948 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 15.0 ptpt -100.72 66.49 1.21 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.88 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 14.9 p90 -101.78 178.7 4.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.944 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 17.4 mttt -107.15 102.08 11.44 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.913 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . 0.432 ' ND2' ' HG1' ' A' ' 24' ' ' THR . 0.1 OUTLIER -92.65 144.33 25.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.947 179.891 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 26.0 t0 72.17 -69.32 0.19 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.781 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -170.21 52.1 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.1 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 83.22 28.37 37.06 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.489 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.39 127.82 32.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.851 0.358 . . . . 0.0 110.851 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -51.97 108.59 0.29 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.829 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.432 ' HG1' ' ND2' ' A' ' 18' ' ' ASN . 94.9 m -148.48 127.87 13.07 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.132 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 36.3 m-85 -137.27 127.04 25.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.962 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 17.2 tt -133.11 133.54 58.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.143 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.3 mppt? -65.83 133.23 50.53 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.916 179.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 60.2 m -78.11 153.58 79.86 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.629 0.728 . . . . 0.0 110.849 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 86.24 0.59 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.696 2.264 . . . . 0.0 112.301 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 68.9 mmtt -143.73 67.06 1.28 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.879 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 13.4 m-85 -79.88 74.24 6.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.901 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 8.9 t0 63.51 86.1 0.12 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.914 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -177.0 -35.93 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.903 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 7.5 tptm -175.7 57.99 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.901 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -79.93 158.34 26.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.851 179.867 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 40.7 t -52.25 148.77 6.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.875 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 10.4 p -148.87 39.84 0.87 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.128 -179.804 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -179.96 161.08 0.92 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.903 179.873 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -71.22 111.69 6.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.829 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 61.77 75.01 0.42 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.937 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -84.42 -78.64 0.23 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.923 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -179.34 143.98 0.21 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.923 179.872 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 19.1 p -169.45 153.64 5.3 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.836 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -138.35 162.3 34.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.116 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 86.5 t -150.4 143.69 17.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.117 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -122.59 148.75 44.86 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.874 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 71.1 p -83.9 -16.08 45.65 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.125 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 5.0 t80 -51.63 -56.24 14.72 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.972 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 28.0 t30 -151.6 39.22 0.63 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.832 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 6.8 m120 51.02 50.36 19.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.836 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -80.11 80.39 6.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.108 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 44.9 t -81.14 133.1 30.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.125 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 28.8 m-20 -115.79 -173.27 2.31 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.902 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -151.6 166.9 29.8 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.892 -179.905 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 65.4 t0 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.884 -179.969 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.757 0.313 . . . . 0.0 111.112 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 6.0 mtmt -163.0 169.1 20.11 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.873 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 14.5 m-85 -145.49 160.13 42.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.86 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 3.0 m -148.32 153.52 38.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.15 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 179.22 -145.5 6.68 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.453 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.0 175.79 9.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.704 0.288 . . . . 0.0 110.925 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -106.89 -172.54 2.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.852 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -135.17 131.38 36.71 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.062 -179.851 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.27 -27.2 54.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.875 179.872 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -86.26 -19.4 29.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.824 -179.902 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.1 ttmt -156.38 119.1 4.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.914 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 46.3 t30 -79.64 61.88 3.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.875 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 21.3 pt-20 -122.33 147.86 45.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.841 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 36.5 t -79.14 106.77 11.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.834 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -95.38 79.53 3.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.886 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 14.0 p90 -111.43 -170.51 1.66 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.888 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.26 127.07 40.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.888 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -115.3 168.35 10.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.877 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 10.0 t0 72.09 -69.43 0.19 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.869 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -175.28 42.35 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.044 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 112.13 13.99 11.48 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.505 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.96 113.61 18.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.835 0.35 . . . . 0.0 110.922 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -52.9 131.49 35.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.872 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 97.4 m -140.56 131.81 26.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.199 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 53.1 m-85 -128.24 130.57 48.13 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.926 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 6.1 tp -152.04 124.26 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.1 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 8.7 tttm -54.09 135.73 42.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.919 179.826 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 16.6 m -94.2 153.18 40.68 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.65 0.738 . . . . 0.0 110.856 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 80.43 0.87 Allowed 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.7 2.267 . . . . 0.0 112.333 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 23.1 mmtm -148.4 64.84 1.08 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.941 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 10.2 p90 -104.9 115.58 30.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.875 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 53.9 66.55 1.2 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.841 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -179.85 -34.73 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.94 -179.902 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.59 60.27 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.851 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -78.92 149.21 32.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.961 179.812 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 17.2 p -51.66 153.71 2.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.891 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 8.6 p -154.11 39.76 0.47 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.142 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 179.64 155.03 0.53 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.932 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -72.41 114.96 11.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.848 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 61.89 74.34 0.44 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.872 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 -84.49 -78.97 0.23 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.912 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 11.8 tttt -178.71 143.27 0.24 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.883 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 17.8 p -165.4 158.56 16.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.818 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -145.35 159.18 43.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.152 -179.841 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 84.6 t -150.33 143.16 17.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.119 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -126.49 143.57 51.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.846 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 59.9 p -76.84 -10.31 59.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.171 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 74.4 t80 -51.64 -58.27 6.82 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.91 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 53.2 p-10 -150.52 39.13 0.72 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.948 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 51.02 46.21 26.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -80.6 84.39 6.19 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.055 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 31.2 t -83.58 122.84 38.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.126 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 54.4 m-20 -110.25 -173.52 2.27 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.91 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -155.57 178.67 9.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.863 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 25.1 t0 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.852 -179.945 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.83 0.347 . . . . 0.0 111.095 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -139.8 161.61 37.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.962 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 37.2 m-85 -142.58 135.63 28.41 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.929 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 14.2 m -93.07 124.73 37.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.176 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -157.55 153.53 24.73 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.446 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.6 170.29 8.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.763 0.315 . . . . 0.0 110.899 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 68.4 m -136.97 156.22 48.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.91 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 2.7 t -104.8 145.61 30.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.152 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.84 -25.16 60.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.921 179.871 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 4.7 p -95.69 17.32 15.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.852 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -179.67 105.29 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.876 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 38.1 t30 -85.98 75.93 9.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.855 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -140.34 136.99 33.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.835 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 4.4 t -75.96 105.08 6.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.866 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.66 52.02 2.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.915 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 28.8 p90 -85.19 179.07 7.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.927 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 5.5 ptpp? -126.38 135.31 51.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.875 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -120.04 176.33 5.48 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.893 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 23.4 t0 71.97 -69.52 0.18 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -177.12 39.92 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.168 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 113.63 14.13 9.83 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.459 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 3.7 mmtt -81.94 116.11 21.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.791 0.329 . . . . 0.0 110.943 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -51.76 127.65 21.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.871 179.862 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 98.1 m -136.94 133.35 35.56 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.149 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 54.6 m-85 -128.26 151.31 49.43 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.887 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 5.9 tp -173.91 122.46 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.01 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.63 115.6 4.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.862 179.88 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 19.7 m -69.19 153.47 95.95 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.637 0.732 . . . . 0.0 110.871 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.77 78.92 0.98 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.677 2.251 . . . . 0.0 112.395 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 16.5 mmtt -144.08 68.05 1.27 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.94 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 5.2 p90 -102.27 110.97 23.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.887 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 52.39 69.04 0.73 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.896 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 8.9 t-20 -178.43 -47.37 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.885 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.24 58.08 0.46 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.91 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.43 153.42 29.69 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.873 179.877 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 36.3 t -52.06 136.51 29.25 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.843 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 43.4 p -138.04 45.96 2.09 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.112 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -176.33 158.44 1.86 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.88 179.851 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -77.9 119.48 21.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.871 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 59.41 55.96 3.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.9 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -60.81 -167.23 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.898 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 4.7 ttpt -113.39 113.62 25.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.813 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -116.93 -169.95 1.74 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.856 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -177.29 156.58 1.24 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.105 -179.794 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 87.8 t -150.25 143.97 17.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.111 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -116.47 130.03 56.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.85 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -73.69 -18.77 60.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.151 -179.887 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 9.2 t80 -51.69 -54.39 28.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.878 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 12.4 p-10 -151.28 39.11 0.66 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.913 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 50.77 54.33 11.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.871 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -90.64 89.16 7.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.116 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 21.6 t -82.66 141.29 15.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.092 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -127.87 137.24 52.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.902 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 15.7 p -96.84 156.53 16.31 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.963 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 37.2 t70 . . . . . 0 C--N 1.327 -0.376 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.897 -179.96 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.791 0.329 . . . . 0.0 111.112 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 19.6 mtpt -143.12 165.51 27.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.95 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 51.8 m-85 -149.11 147.58 28.66 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.035 0.445 . . . . 0.0 110.865 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.5 p -102.37 144.77 30.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.113 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -175.32 135.68 3.12 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.447 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.74 173.71 6.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.7 0.286 . . . . 0.0 110.877 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 59.7 m -126.72 154.86 43.59 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.899 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 6.4 p -108.36 145.1 35.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.191 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 6.8 mtmt -57.21 -25.99 59.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.952 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 53.5 p -100.19 17.85 20.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.848 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.0 mttp -179.37 108.67 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.832 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 27.5 t30 -89.33 76.09 7.62 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.891 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 22.6 pt-20 -139.58 153.94 47.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.827 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 3.4 t -87.79 102.43 14.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.892 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -88.68 64.6 7.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.892 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 32.8 p90 -96.62 177.82 5.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.921 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 21.2 mtmt -119.26 141.22 49.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.928 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -126.18 169.22 13.05 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.893 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 13.1 t70 72.21 -69.44 0.19 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.859 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -173.85 40.88 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.154 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 111.96 15.23 10.18 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.515 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -80.04 113.82 18.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.811 0.339 . . . . 0.0 110.85 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -51.87 128.9 25.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.942 179.828 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 97.1 m -138.28 132.09 31.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.112 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 54.4 m-85 -127.68 136.34 51.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.934 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 6.1 tp -157.34 123.06 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.111 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 12.2 pttt -58.46 132.65 54.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.843 179.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 20.1 m -87.43 153.24 53.26 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.624 0.726 . . . . 0.0 110.87 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 76.68 1.13 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.7 2.266 . . . . 0.0 112.348 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.5 mmtt -151.11 46.53 0.83 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.893 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 49.4 p90 -80.41 129.66 34.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.877 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 26.7 m-20 51.48 61.99 2.94 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.828 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 -179.38 -34.75 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.941 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -174.81 56.23 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.87 179.867 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 12.5 mtpt -79.88 56.98 2.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.867 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 36.5 t 64.54 145.02 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.885 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 6.9 p -154.83 37.62 0.41 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.13 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -177.96 131.75 0.15 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.887 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -51.79 120.57 5.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.879 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 62.38 75.66 0.39 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.855 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -79.06 -166.13 0.87 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.834 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 6.0 tttp -117.94 114.85 23.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.911 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -128.44 -172.0 2.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.877 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -174.29 160.79 3.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.177 -179.878 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 96.8 t -147.18 144.03 19.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.116 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -118.69 143.6 46.75 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.86 179.858 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -83.3 -16.61 45.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.137 -179.901 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 61.8 t80 -51.67 -56.93 10.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.939 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 45.2 p-10 -150.38 39.01 0.72 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.899 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 50.93 56.14 8.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.847 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -82.11 91.33 6.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.161 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 94.0 t -80.06 108.4 13.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.091 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -85.95 -172.42 4.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.873 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 16.7 p -154.31 157.75 39.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.877 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 11.1 t70 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.892 -179.928 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.824 0.345 . . . . 0.0 111.13 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -175.53 152.86 1.39 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.916 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 16.5 m-85 -129.95 142.22 50.67 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.942 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 4.0 m -127.74 158.1 38.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.109 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 179.75 -144.95 6.27 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.5 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 10.1 mtpt -145.79 -175.26 4.67 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.824 0.345 . . . . 0.0 110.853 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 60.4 m -144.53 162.23 37.1 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.835 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 16.2 p -112.43 135.12 53.52 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.183 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.65 -30.4 67.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.934 179.88 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 83.4 p -80.42 -24.65 39.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.826 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.58 107.13 5.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.927 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 27.4 t30 -79.92 74.83 6.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.877 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -136.52 134.98 38.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.891 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -70.75 103.85 2.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.884 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -95.36 55.16 1.7 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.87 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 37.3 p90 -79.77 -179.92 7.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.964 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -122.04 138.64 54.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.888 179.891 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -125.01 171.82 9.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.905 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 6.0 t70 72.1 -69.49 0.19 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.983 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -178.36 40.02 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.08 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 117.7 11.23 8.7 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.832 -0.699 . . . . 0.0 112.509 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -85.07 121.44 27.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.79 0.329 . . . . 0.0 110.9 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -51.61 142.91 13.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.866 179.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 3.6 m -147.08 132.04 18.15 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.139 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 13.4 m-85 -133.24 147.61 51.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.857 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 6.1 tt -168.97 37.82 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.172 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 8.8 mttt 55.08 178.18 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.905 179.832 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -129.91 147.83 67.1 Favored Pre-proline 0 C--N 1.327 -0.382 0 CA-C-O 121.651 0.739 . . . . 0.0 110.815 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 71.43 1.51 Allowed 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.688 2.259 . . . . 0.0 112.401 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 15.0 mmtt -140.24 66.16 1.4 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.89 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 27.0 m-85 -79.44 86.33 5.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.845 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 51.52 85.55 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.87 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 6.6 t30 -179.88 -34.95 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.916 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 2.3 tptt -175.27 67.78 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.935 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 27.2 mttt -78.44 165.81 23.35 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.928 179.837 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 3.0 t -51.0 126.53 16.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.855 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 73.0 p -131.18 39.87 3.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.173 -179.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 3.5 tttp -170.22 145.75 2.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.837 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -70.57 120.65 16.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.878 179.82 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 59.21 54.37 4.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.864 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -60.86 -168.38 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.858 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 9.4 ttpt -111.81 114.54 27.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.964 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 14.2 p -122.44 179.85 4.44 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.894 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -178.64 130.57 0.12 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.157 -179.89 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 98.0 t -122.37 143.21 35.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.168 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 16.5 t0 -111.29 139.47 46.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.886 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 18.1 p -77.22 -11.99 59.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.102 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 11.4 t80 -51.3 -54.67 23.9 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.928 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -152.28 39.47 0.58 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.843 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 51.03 43.63 28.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.894 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -84.21 96.97 9.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.095 179.819 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 84.5 t -79.93 144.1 11.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.167 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -138.64 106.1 5.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.859 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.4 t -93.24 167.48 11.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.871 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.9 t0 . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.858 -179.957 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.83 0.348 . . . . 0.0 111.146 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.07 161.96 39.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.84 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 53.5 m-85 -150.04 133.25 16.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.921 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -99.9 124.22 44.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.221 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -137.86 -150.2 5.65 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.417 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -166.73 152.76 8.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.687 0.28 . . . . 0.0 110.881 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 68.8 m -111.7 156.9 21.16 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.87 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 7.0 p -107.93 140.79 40.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.107 -179.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.4 ptpt -57.08 -21.86 34.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.858 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 40.5 p -79.33 -22.41 44.57 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.91 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -160.35 123.21 3.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.892 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 36.1 t30 -79.48 73.73 6.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.884 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.1 pp20? -136.32 162.66 32.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.858 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 37.4 t -103.03 104.65 14.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.911 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 5.9 ptpt -94.79 56.77 2.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.91 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 17.4 p90 -86.24 -173.14 4.41 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.876 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.92 130.62 45.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.865 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -118.33 173.27 6.91 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.847 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 13.1 t0 72.15 -69.5 0.19 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.891 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -175.75 39.99 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.074 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 113.89 14.48 9.31 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.437 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.57 109.19 15.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.787 0.327 . . . . 0.0 110.869 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -54.0 122.85 10.99 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.853 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 98.8 m -129.06 134.4 48.09 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.116 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 50.8 m-85 -122.98 136.76 54.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.894 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 6.0 tp -160.44 122.81 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.064 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.07 129.93 44.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.906 179.846 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 20.0 m -81.27 153.34 71.56 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.588 0.708 . . . . 0.0 110.871 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 86.63 0.57 Allowed 'Trans proline' 0 N--CA 1.464 -0.222 0 C-N-CA 122.726 2.284 . . . . 0.0 112.386 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 31.9 mmtt -143.94 66.9 1.28 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.89 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 15.1 m-85 -82.77 74.41 9.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.889 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 63.48 87.27 0.11 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.879 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -178.36 -35.53 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.852 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -175.54 58.56 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.87 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 40.5 mtpt -79.97 159.2 26.37 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.858 179.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 20.5 p -52.04 153.18 2.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.838 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 12.6 t -158.47 38.94 0.24 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.175 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 18.7 ttmt 179.5 126.42 0.07 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.862 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -51.68 124.31 12.04 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.86 179.876 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . 0.427 ' N ' HD21 ' A' ' 40' ' ' ASN . 1.4 m-80 59.58 70.88 0.61 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.868 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -92.4 -79.01 0.4 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.93 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 11.5 tttm 179.05 142.52 0.12 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.869 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 2.8 t -154.02 163.09 40.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.877 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -148.64 150.72 33.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.142 -179.89 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 97.5 t -150.16 119.09 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.059 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -103.65 153.16 20.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.939 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 81.5 p -89.64 -16.35 30.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.095 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 71.5 t80 -51.59 -55.11 21.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.904 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 46.5 p30 -149.84 39.08 0.77 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.879 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 7.3 m120 50.61 57.88 6.14 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.843 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -81.25 82.84 7.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.105 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 43.4 t -80.01 95.16 2.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.139 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -81.29 -172.59 3.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.909 179.885 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -166.68 143.79 4.89 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.887 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.837 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.896 0.379 . . . . 0.0 111.128 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 36.7 mtmt -79.92 171.88 14.53 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.875 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 31.7 m-85 -146.69 177.8 8.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.919 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -157.39 150.82 23.88 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.158 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -159.53 -168.97 22.26 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.484 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 10.7 mttt -146.02 145.73 30.7 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.739 0.304 . . . . 0.0 110.951 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 87.9 m -88.35 173.91 8.46 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.819 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 18.0 p -124.81 47.45 2.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.145 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 10.2 mttt 63.92 -82.69 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.925 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 91.3 p -62.92 -48.45 78.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.837 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.44 91.38 8.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.876 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 48.1 t30 -78.58 59.12 2.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.892 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 20.5 pt-20 -118.22 151.23 38.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.914 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 39.8 t -89.13 117.84 28.41 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.921 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -101.79 100.74 11.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.939 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 31.3 p90 -132.3 177.32 7.67 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.86 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 2.1 ttmt -107.98 132.79 53.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.886 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -129.25 163.6 25.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.926 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 6.9 t70 71.41 -72.08 0.12 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.797 179.813 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . 178.64 39.89 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.06 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 129.72 -1.28 5.94 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.578 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.1 mtpp -80.02 129.76 34.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.724 0.297 . . . . 0.0 110.892 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -76.28 144.74 40.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.831 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 88.5 m -136.77 129.39 30.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.134 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 45.9 m-85 -131.62 123.37 27.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.881 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 2.8 tt -146.93 118.71 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.118 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.0 123.95 16.96 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.927 179.786 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 8.0 m -75.95 153.95 84.84 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.599 0.714 . . . . 0.0 110.926 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 95.47 0.56 Allowed 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.736 2.291 . . . . 0.0 112.388 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 26.9 mmtm -152.13 64.64 0.83 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.876 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 23.6 m-85 -90.66 102.46 15.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.936 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 51.77 75.52 0.21 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.851 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 38.3 t-20 -174.46 -36.58 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.871 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -176.27 64.86 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.897 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 2.5 mttp -79.38 170.58 16.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.858 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 11.8 t -72.25 153.79 41.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.936 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 9.0 p -154.29 41.25 0.48 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.153 -179.829 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 27.0 tttm 179.95 120.27 0.06 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.866 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -50.13 124.62 10.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.857 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 60.12 67.2 0.88 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.845 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -84.49 -78.45 0.24 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.944 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 5.3 tttt -179.44 138.49 0.14 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.858 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -148.2 157.59 43.58 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.844 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -153.64 150.18 28.34 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.113 -179.862 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 69.2 t -148.78 141.35 18.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.173 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -122.16 158.72 28.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.913 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 19.5 p -96.02 -7.47 36.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.163 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 62.1 t80 -51.72 -52.73 46.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.95 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 39.3 p-10 -150.12 39.12 0.75 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.907 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 50.83 48.09 23.49 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.912 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -88.84 115.45 26.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.137 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 21.7 t -104.93 103.91 16.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.09 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -79.73 169.18 18.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.943 179.88 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -134.14 163.16 30.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.837 -179.872 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.867 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.086 0 CA-C-O 120.828 0.347 . . . . 0.0 111.102 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 41.0 mttt -145.49 165.55 28.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 -146.19 152.81 39.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.945 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 14.9 t -139.6 140.1 36.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.166 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -156.89 -146.89 4.6 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.487 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 6.4 mttm -145.96 169.68 18.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.855 0.36 . . . . 0.0 110.846 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 59.6 m -119.3 154.58 33.29 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.832 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.7 t -109.59 141.37 42.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.145 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 13.4 ptmm? -60.11 -24.07 64.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.932 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 93.0 p -79.29 -18.29 52.96 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.896 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -160.53 117.54 2.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.852 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 54.5 t30 -79.58 58.27 2.67 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.892 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 21.6 pt-20 -129.07 133.25 47.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.868 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 2.1 p -58.62 147.69 31.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.861 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.53 82.02 1.98 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.881 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 7.5 p90 -121.79 -169.81 1.94 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.932 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 7.1 pttt -125.38 118.49 26.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.843 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -109.78 160.02 16.69 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.895 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 14.7 t0 72.05 -69.66 0.18 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.798 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -176.36 49.26 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.077 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 99.27 20.04 19.17 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.496 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -79.73 131.01 35.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.774 0.321 . . . . 0.0 110.907 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -67.84 122.95 19.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.886 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 98.1 m -147.99 129.8 15.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.144 -179.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 40.0 m-85 -137.35 127.21 25.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.87 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 2.6 tt -136.25 137.07 48.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.156 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 5.1 mtpt -69.05 134.0 48.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.862 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 14.5 m -84.18 153.73 63.04 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.56 0.695 . . . . 0.0 110.913 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 66.87 1.78 Allowed 'Trans proline' 0 C--O 1.231 0.129 0 C-N-CA 122.69 2.26 . . . . 0.0 112.317 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.3 mptp? -139.96 45.68 1.88 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.894 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 27.1 m-85 -77.55 97.25 4.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.863 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 64.68 41.46 5.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.859 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 19.8 t30 -135.58 -50.0 0.72 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.846 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 4.1 tttt -177.03 55.02 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.903 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 15.1 ptpt -79.63 173.0 13.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.865 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 26.1 t -52.4 151.94 3.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.853 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 11.9 t -139.39 39.74 2.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.184 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -179.39 173.4 1.1 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.898 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -83.06 102.98 12.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.886 179.824 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.7 m120 63.69 77.47 0.32 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.861 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 6.0 m-20 -87.08 -79.64 0.27 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.83 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 12.0 tttt -179.12 142.83 0.2 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.911 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 16.9 p -168.8 169.24 10.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.892 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -144.0 164.72 29.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.169 -179.779 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 94.6 t -150.18 143.7 17.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.154 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -122.74 162.35 22.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.849 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -107.92 -17.72 13.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.166 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 4.9 t80 -51.54 -52.42 47.18 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.906 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 47.6 t30 -151.55 39.3 0.64 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.917 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 50.7 72.5 0.34 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.889 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -109.74 104.71 13.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.072 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 21.4 t -106.36 150.32 9.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.147 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -134.33 -177.04 4.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.825 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 16.3 p -148.97 165.24 32.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.923 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 20.2 t0 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.866 -179.963 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.757 0.313 . . . . 0.0 111.138 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -155.78 170.44 22.07 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.859 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 22.1 m-85 -146.09 163.86 33.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.861 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -148.93 140.93 23.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.175 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -174.96 -157.82 17.37 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.504 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.56 165.37 27.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.76 0.314 . . . . 0.0 110.909 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 10.6 p -114.99 160.55 19.44 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.866 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 6.6 p -105.82 160.65 15.08 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.058 -179.794 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -65.99 -30.73 71.33 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.937 179.862 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 17.4 p -65.92 -20.91 66.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.871 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.1 tmtt? -174.09 127.95 0.37 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.867 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 45.7 t-20 -79.86 67.3 5.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.843 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -119.36 142.19 48.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.845 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 36.0 t -78.36 105.44 9.61 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.884 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -91.97 72.28 5.59 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.835 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 13.8 p90 -103.7 -170.11 1.73 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.922 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -135.18 127.71 30.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.864 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -114.87 166.42 11.79 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.885 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 5.9 t70 71.99 -69.42 0.19 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.916 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -178.17 61.05 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.135 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 90.68 19.54 43.89 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.444 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.83 121.63 25.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.791 0.329 . . . . 0.0 110.932 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -58.38 116.81 3.86 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.877 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 98.2 m -136.83 131.3 33.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.139 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 51.7 m-85 -131.23 129.57 41.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 10.5 tt -140.88 122.61 14.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.138 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -56.23 140.16 45.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.897 179.869 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 17.0 m -104.53 153.37 39.2 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.706 0.765 . . . . 0.0 110.867 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 128.37 15.93 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.732 2.288 . . . . 0.0 112.325 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.39 46.21 1.05 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.914 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 28.3 m-85 -79.13 84.16 5.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.841 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 51.75 39.24 25.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.842 179.88 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 9.3 t-20 -125.3 -35.79 2.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.837 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.4 mmtt 178.25 75.49 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.853 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.2 mttm -77.45 131.02 37.77 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.958 179.784 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 14.7 p -51.15 145.85 7.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.897 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 8.7 p -154.31 39.01 0.45 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.106 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 178.08 127.42 0.05 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.874 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -48.24 126.4 11.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.852 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 59.61 72.06 0.55 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.874 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -89.7 -79.63 0.33 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.927 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 179.35 144.55 0.16 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.863 179.854 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 28.8 p -169.65 147.57 3.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.889 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -132.1 158.88 40.49 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.099 -179.806 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 93.2 t -150.24 137.74 13.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.201 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -117.54 157.33 26.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.879 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 26.4 p -98.95 -9.55 23.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.096 -179.849 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 70.7 t80 -51.76 -51.29 57.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.841 -179.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 38.2 p30 -149.41 39.03 0.8 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.905 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 50.6 59.81 4.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.846 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -91.46 140.51 29.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.107 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 16.0 t -133.41 128.62 55.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.147 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -120.81 170.25 9.65 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.823 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 20.6 p -127.34 166.12 18.43 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.891 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 9.7 t0 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.84 -179.93 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.842 0.354 . . . . 0.0 111.099 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 37.3 mtpt -153.6 173.79 15.31 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.939 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 27.1 m-85 -142.95 115.55 8.62 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.994 0.425 . . . . 0.0 110.932 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 15.0 t -104.02 138.18 40.93 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.095 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -163.61 -155.84 8.41 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.419 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 19.8 mtpp -138.78 -172.29 3.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.766 0.317 . . . . 0.0 110.933 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -125.67 -176.18 3.54 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.921 179.9 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 2.2 t -146.47 137.39 24.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.123 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.8 mtpm? -53.9 -30.33 45.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.906 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 12.5 p -60.01 -24.12 64.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.855 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -175.46 130.54 0.27 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.941 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 13.3 t30 -78.51 70.12 4.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.869 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 21.1 pt-20 -127.26 139.39 52.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.889 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 34.9 t -60.77 135.49 57.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.892 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 6.1 ttpp -123.11 97.13 5.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.866 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 24.3 p90 -127.55 176.94 7.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.963 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.43 128.81 52.54 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.937 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -119.39 167.72 11.65 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.833 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 24.4 t0 71.99 -69.56 0.18 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.869 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -171.48 41.51 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.068 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 109.15 17.04 10.47 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.538 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 3.5 tmtt? -83.16 112.72 20.09 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.748 0.309 . . . . 0.0 110.952 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -54.73 123.62 13.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.828 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 89.9 m -132.24 145.62 51.44 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.156 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 12.5 m-85 -140.75 160.93 38.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.828 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.466 ' O ' ' HG2' ' A' ' 27' ' ' LYS . 2.2 tt -169.84 39.67 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.154 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.466 ' HG2' ' O ' ' A' ' 26' ' ' ILE . 0.0 OUTLIER 56.56 172.45 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.917 179.898 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -131.63 149.87 74.7 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.636 0.731 . . . . 0.0 110.849 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.66 84.64 0.63 Allowed 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.728 2.286 . . . . 0.0 112.38 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 39.1 mmtm -153.31 60.96 0.76 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.846 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 37.0 m-85 -79.89 93.05 5.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.878 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 51.26 82.05 0.06 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.902 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 5.8 t30 179.82 -34.68 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.902 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.9 mttt -169.59 67.2 0.06 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.898 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.72 154.3 32.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.941 179.837 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 49.3 t -50.97 145.64 7.08 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.836 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 8.6 p -154.3 40.34 0.47 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.173 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 179.02 120.9 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.881 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -49.73 125.45 11.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.832 179.891 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 57.3 69.22 0.76 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.909 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 6.2 m-20 -83.88 -80.74 0.18 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.896 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 1.5 ttmt -179.71 143.67 0.19 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.868 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 12.2 m -151.1 176.93 10.69 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.921 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -178.38 145.88 0.35 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.128 -179.877 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 92.7 t -147.34 142.34 19.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.078 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -112.88 131.31 55.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.847 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 68.2 p -64.98 -15.53 62.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.115 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 80.8 t80 -51.69 -57.2 9.88 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.904 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 52.5 p-10 -151.4 39.23 0.65 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.897 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 50.78 46.58 25.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.896 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -79.86 96.63 6.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.154 179.866 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 21.4 t -79.95 150.35 4.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.106 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -146.78 90.83 1.95 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.877 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -63.01 177.2 0.61 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.877 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 43.9 t0 . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.86 -179.984 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.907 0.384 . . . . 0.0 111.046 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.98 169.12 22.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.904 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 12.5 m-85 -145.63 171.37 14.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.895 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -150.74 166.54 30.13 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.128 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 168.67 176.84 39.2 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.407 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.5 mttm -115.36 169.52 9.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.794 0.331 . . . . 0.0 110.91 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -101.2 -179.02 3.92 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.86 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -135.46 132.1 36.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.134 -179.866 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 21.4 mtmt -53.72 -31.86 49.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.948 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 43.6 p -81.76 -25.01 35.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.884 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.91 114.39 5.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.873 179.871 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 35.7 t30 -80.0 73.67 6.78 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.949 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 18.4 pt-20 -138.2 155.68 48.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.947 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 37.5 t -90.85 113.67 25.9 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.882 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.73 100.87 12.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.905 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 35.1 p90 -133.0 176.89 8.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.906 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 2.4 ttmt -108.57 134.14 51.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.909 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -131.27 178.16 6.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.898 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 25.9 t70 64.15 -81.72 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.857 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -170.76 47.82 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.127 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 114.34 9.31 15.36 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.516 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 41.3 tttp -87.1 143.02 27.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.786 0.327 . . . . 0.0 110.866 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -87.3 143.2 27.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.87 179.814 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 97.1 m -146.44 134.88 21.96 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.13 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 55.8 m-85 -128.07 117.33 21.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.919 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 6.1 tp -123.44 123.92 68.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.145 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 25.1 mttp -77.24 117.57 18.89 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.904 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 19.5 m -68.87 153.26 96.22 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.616 0.722 . . . . 0.0 110.938 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 68.24 1.7 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.7 2.267 . . . . 0.0 112.37 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 20.7 mmtp -144.3 54.61 1.27 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.889 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 26.3 p90 -99.78 41.06 1.18 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.894 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 174.73 -25.89 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.899 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -102.17 -17.45 15.98 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.931 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -179.58 72.71 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.931 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.41 50.41 1.1 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.892 179.879 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 8.2 t 62.12 159.25 0.06 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.852 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 12.6 t -174.81 38.91 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.137 -179.869 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.5 ttmt 176.93 118.01 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.941 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -49.49 113.01 0.73 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.89 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.4 m120 64.35 71.58 0.47 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.911 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -81.76 -79.48 0.17 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.858 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 5.5 tttt -179.43 143.6 0.2 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.888 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -153.67 171.14 19.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.896 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -158.46 150.51 21.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.16 -179.857 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 88.1 t -148.75 137.62 15.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.204 179.85 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -123.77 158.64 31.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.818 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 55.8 p -93.54 -9.07 39.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.094 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 5.0 t80 -51.69 -56.63 12.57 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.938 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 6.6 t30 -151.48 39.25 0.64 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.87 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 50.91 56.53 7.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.907 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -88.36 108.56 19.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.102 179.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 21.9 t -102.54 113.02 37.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.104 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -106.42 178.07 4.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.843 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -142.07 176.86 8.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.918 -179.858 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 44.5 t0 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.886 179.996 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.867 0.365 . . . . 0.0 111.136 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 2.9 mtpm? -79.91 160.14 26.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.889 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 51.6 m-85 -138.11 132.92 32.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.926 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -86.26 128.47 34.92 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.129 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -159.15 173.08 35.95 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.516 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.5 169.6 17.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.757 0.313 . . . . 0.0 110.944 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 6.0 p -137.64 156.38 48.11 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.937 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 3.8 t -98.35 148.25 23.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.16 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.37 -21.86 38.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.933 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 4.8 p -87.58 -20.21 26.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.829 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.3 tppt? -145.62 112.49 6.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.877 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 52.1 t30 -81.52 56.89 3.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.871 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -118.8 141.49 48.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.919 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 34.4 t -84.62 113.98 21.66 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.934 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.75 76.27 2.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.874 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 46.1 p90 -104.71 174.78 5.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.938 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -105.16 135.49 46.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.892 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -134.45 164.8 26.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.844 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 19.4 t0 71.5 -71.66 0.13 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.828 179.852 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . 178.92 39.87 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.087 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 128.79 -1.3 6.33 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.517 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 5.1 mmtp -79.84 120.75 24.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.79 0.329 . . . . 0.0 110.869 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 26.5 m-20 -75.63 119.28 19.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.873 179.839 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 18.4 m -105.62 133.47 50.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.176 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 46.2 m-85 -129.49 122.34 29.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.848 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 5.2 tp -152.68 117.83 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.092 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -52.72 129.36 29.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.947 179.816 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 7.0 m -79.37 154.07 76.68 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-O 121.612 0.72 . . . . 0.0 110.854 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 85.12 0.63 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.638 2.225 . . . . 0.0 112.362 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 7.9 mmtt -148.31 72.66 1.21 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.906 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.438 ' O ' ' N ' ' A' ' 33' ' ' ASN . 40.7 m-85 -73.11 -164.57 0.18 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.842 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -49.11 90.85 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.871 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.438 ' N ' ' O ' ' A' ' 31' ' ' PHE . 0.5 OUTLIER 177.65 -51.58 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.896 -179.88 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 8.1 mmtm -153.57 60.36 0.75 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.866 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.39 164.53 24.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.947 179.81 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 23.3 p -51.29 140.73 16.36 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.852 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 17.2 p -151.27 47.08 0.83 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.133 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.83 146.66 0.74 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.887 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -71.23 119.72 15.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.891 179.846 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 60.45 57.49 2.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.856 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -61.13 -166.85 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.86 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -110.86 113.17 25.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.925 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 1.2 m -128.55 172.97 10.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.839 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -164.75 165.47 20.69 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.15 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 66.6 t -149.79 128.75 3.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.122 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -106.46 124.47 49.65 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.864 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -73.07 -13.47 61.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.154 -179.891 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 66.3 t80 -51.95 -45.73 64.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.879 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 79.3 m-20 -146.54 38.17 1.02 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.871 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 47.58 44.78 17.42 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.929 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -83.62 149.69 26.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.146 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 21.1 t -133.04 107.54 11.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.154 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -80.98 153.95 27.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.908 179.899 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -136.3 137.6 40.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.876 -179.883 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 7.8 t0 . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.832 -179.94 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.874 0.368 . . . . 0.0 111.113 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.2 173.21 16.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.915 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 45.2 m-85 -129.74 165.64 21.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.912 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 15.2 t -145.82 133.76 21.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.125 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -150.97 -138.62 2.86 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.484 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 9.3 mtmm -144.21 169.75 17.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.827 0.346 . . . . 0.0 110.908 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 2.1 p -135.8 150.28 49.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.811 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -89.38 147.31 24.12 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.146 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -55.11 -74.68 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.837 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 52.6 p -58.99 -34.75 72.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.861 -179.849 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.91 93.3 4.46 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.868 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 28.8 t30 -79.39 72.45 6.01 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.948 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -137.55 143.26 41.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.934 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 54.0 t -86.19 116.71 24.55 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.93 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -104.07 59.79 0.73 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.885 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 10.4 p90 -91.29 -172.62 3.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.95 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 17.0 mttp -126.81 126.71 43.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.879 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -115.01 168.27 10.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.86 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 6.3 t0 71.71 -70.24 0.16 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.855 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -179.16 39.9 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.074 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 122.02 7.66 7.73 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.546 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.83 107.91 12.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.787 0.327 . . . . 0.0 110.938 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -56.19 129.3 39.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.903 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 99.8 m -128.49 130.97 48.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.251 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 54.5 m-85 -128.7 118.39 22.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.85 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 9.6 tt -147.0 109.19 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.191 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.36 131.61 28.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.902 179.891 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 10.2 m -74.08 152.84 88.58 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.638 0.732 . . . . 0.0 110.889 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 64.82 1.84 Allowed 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.68 2.254 . . . . 0.0 112.39 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.8 mptp? -142.18 45.23 1.66 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.896 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 19.0 m-85 -78.75 120.65 23.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.86 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 64.49 15.03 9.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.896 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 2.9 m-80 -127.88 -36.23 2.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.895 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 10.2 ttmt -175.58 64.05 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.855 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 21.3 mtpt -77.83 59.13 2.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.936 179.805 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 19.5 t 64.2 153.64 0.05 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.831 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 24.3 p -148.76 39.02 0.85 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.191 -179.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 177.98 130.2 0.06 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.955 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -50.34 123.26 8.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.884 179.881 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 50.22 52.79 14.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -60.23 -169.54 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.926 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 4.8 tttt -103.3 110.98 23.17 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.924 179.856 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 15.7 p -119.73 -170.0 1.87 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.902 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -169.3 158.43 8.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.111 -179.838 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 88.0 t -150.46 102.84 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.136 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -86.55 141.51 28.99 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.802 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -88.94 -21.25 23.67 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.177 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 12.2 t80 -47.65 -46.91 29.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.95 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 36.7 t30 -152.93 38.08 0.51 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.858 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 47.11 68.48 0.63 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.845 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -99.12 103.58 15.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.088 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 19.7 t -97.47 130.76 45.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.105 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 75.9 m-20 -130.9 167.04 19.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.898 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 16.7 p -151.91 165.33 34.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.863 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.82 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.902 0.382 . . . . 0.0 111.078 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 2.3 pttt -142.38 166.41 24.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.943 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 69.8 m-85 -120.07 145.81 46.52 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.919 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 10.1 m -112.05 124.22 51.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.181 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -145.72 -138.27 3.21 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.453 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -162.43 176.47 10.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.766 0.317 . . . . 0.0 110.897 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.524 ' HG ' ' N ' ' A' ' 13' ' ' GLU . 0.5 OUTLIER -118.1 -176.85 3.14 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.88 179.966 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -125.78 134.84 51.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.138 -179.891 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 14.2 ptpt -54.05 -36.98 63.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.892 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 2.8 p -97.07 21.56 9.64 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.862 -179.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -179.51 104.99 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.864 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 45.6 t30 -79.87 62.73 4.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.933 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.524 ' N ' ' HG ' ' A' ' 7' ' ' CYS . 17.9 pt-20 -131.24 136.01 47.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.89 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 2.5 p -62.63 147.4 49.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.924 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 3.4 ptmm? -134.23 75.03 1.57 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.928 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 8.4 p90 -117.16 -171.29 2.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.9 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 21.0 mttt -124.05 120.41 32.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.859 179.871 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -110.88 161.11 16.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.917 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 6.2 t70 71.83 -69.69 0.18 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.86 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -178.22 40.14 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.104 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 111.59 16.44 9.4 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.517 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -79.92 111.36 16.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.771 0.319 . . . . 0.0 110.896 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 32.7 m-20 -52.86 127.25 22.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.932 179.843 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 99.2 m -149.29 129.43 13.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.148 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 38.7 m-85 -135.4 124.62 24.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.931 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 2.9 tp -137.48 128.66 39.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.112 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 14.3 mttt -61.77 136.11 57.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.953 179.823 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 9.6 m -88.54 144.49 33.7 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.622 0.725 . . . . 0.0 110.904 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 64.84 1.81 Allowed 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.717 2.278 . . . . 0.0 112.332 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 11.5 mmtp -144.39 53.01 1.26 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.904 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 32.3 p90 -98.98 39.7 1.26 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.907 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 174.89 -26.16 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.899 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 9.5 m-20 -102.84 -16.36 15.93 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.848 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 3.2 tptt -176.01 69.83 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.93 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -77.82 105.83 9.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.861 179.898 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 1.3 m -52.27 131.72 33.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.843 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 21.0 p -138.94 39.87 2.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.116 -179.846 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.72 154.58 42.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.92 179.817 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -86.17 115.05 23.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.889 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 65.87 29.99 10.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.86 -179.887 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -51.44 -77.39 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.906 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 6.1 ttpt 179.78 148.71 0.29 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.916 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -162.88 172.46 15.1 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.876 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -159.3 155.56 27.1 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.092 -179.843 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 78.5 t -150.91 105.02 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.152 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -88.84 121.02 30.78 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.913 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -73.3 -14.69 61.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.194 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 4.8 t80 -50.75 -48.68 59.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.927 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -151.27 38.8 0.65 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.861 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 49.5 59.78 4.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.888 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -104.78 105.87 16.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.073 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 12.3 t -100.47 141.75 16.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.108 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -118.8 -171.46 2.1 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.868 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -156.29 162.3 40.12 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.884 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 26.3 t0 . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.936 179.987 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.456 -0.128 0 CA-C-O 120.867 0.365 . . . . 0.0 111.111 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -148.35 171.79 15.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.926 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 17.4 m-85 -142.83 159.22 42.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.893 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 15.0 t -143.96 140.15 29.49 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.116 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -162.56 -163.46 15.34 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.513 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -146.7 155.78 42.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.775 0.322 . . . . 0.0 110.903 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 39.2 m -113.28 153.95 27.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.882 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 14.6 t -100.74 164.63 11.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.08 -179.807 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 11.0 mtpt -66.8 -26.7 67.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.942 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 58.9 p -99.69 20.05 14.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.856 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -179.95 113.3 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.878 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 51.8 t30 -94.47 62.31 2.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.844 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 22.4 pt-20 -128.0 142.79 51.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.846 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 17.1 t -81.0 110.07 16.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.942 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -89.44 68.59 7.89 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.92 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 32.0 p90 -103.74 177.61 4.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.987 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 9.0 mttp -121.79 139.39 53.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.943 179.86 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -123.59 169.7 11.18 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.842 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 20.0 t0 72.12 -69.47 0.19 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.867 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -175.51 41.34 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.133 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 113.82 13.47 10.24 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.528 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -80.0 112.9 17.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.774 0.321 . . . . 0.0 110.88 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -51.95 130.5 29.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.934 179.817 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 96.9 m -138.93 130.33 27.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.12 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 49.4 m-85 -130.49 133.01 45.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.882 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 12.6 tt -156.41 121.14 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.115 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.4 mmtt -58.78 129.55 42.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.938 179.799 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 15.7 m -81.1 151.34 69.91 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.622 0.725 . . . . 0.0 110.859 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.68 72.24 1.42 Allowed 'Trans proline' 0 C--N 1.34 0.131 0 C-N-CA 122.727 2.285 . . . . 0.0 112.357 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.27 68.9 1.33 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.902 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.455 ' O ' ' N ' ' A' ' 33' ' ' ASN . 42.3 m-85 -73.11 -164.12 0.17 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.843 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -47.05 91.25 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.87 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.455 ' N ' ' O ' ' A' ' 31' ' ' PHE . 4.9 t30 175.87 -52.55 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.856 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 3.5 ttpt -149.38 56.12 0.98 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.95 179.834 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -79.28 174.13 11.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.911 179.859 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 10.2 t -67.67 149.78 49.58 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.888 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 40.1 p -146.43 39.92 1.09 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.173 -179.849 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 179.26 122.97 0.05 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.819 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -50.89 114.3 1.13 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.847 179.89 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 62.59 75.37 0.4 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.879 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -88.31 -79.38 0.3 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.874 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 7.5 tttt -179.47 130.89 0.1 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.891 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -138.87 -179.73 6.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.847 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -172.43 149.05 2.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.125 -179.875 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 97.3 t -149.04 138.82 16.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.166 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -114.95 146.56 41.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.847 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 48.2 p -82.11 -13.74 56.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.13 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 5.0 t80 -51.66 -55.35 19.92 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.932 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 3.9 t30 -151.47 39.22 0.64 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.928 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 50.78 46.26 26.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.899 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -83.51 108.3 16.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.121 179.866 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 20.7 t -99.81 150.69 5.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.084 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -129.09 175.6 8.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.825 179.874 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 16.6 p -137.04 156.21 48.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.918 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 48.0 t0 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.88 -179.916 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.848 0.356 . . . . 0.0 111.115 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 27.0 mttp -115.72 167.72 10.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.92 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 90.1 m-85 -142.62 128.1 18.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.937 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 15.2 t -81.11 134.55 35.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.15 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -171.02 -170.1 34.81 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.471 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.39 169.47 21.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.758 0.313 . . . . 0.0 110.955 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 18.9 m -118.53 167.26 11.78 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.904 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 8.3 p -119.4 147.26 44.57 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.157 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.16 -25.3 58.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.901 179.858 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.0 p -102.78 17.43 23.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.831 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -179.54 96.44 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.935 179.888 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 42.5 t30 -79.92 64.57 4.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.875 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 23.0 pt-20 -137.18 134.25 36.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.891 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 2.1 t -72.93 96.75 2.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.88 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 3.8 mtmt -81.19 61.82 4.88 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.859 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 29.1 p90 -96.57 178.82 5.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.915 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 8.5 ptpt -122.03 139.51 53.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.878 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -126.79 168.58 14.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.825 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 6.2 t70 72.02 -69.75 0.18 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.863 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -178.47 56.62 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.103 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 93.89 20.28 31.59 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.471 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.7 156.71 27.42 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.804 0.335 . . . . 0.0 110.917 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -89.74 112.41 23.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.859 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 96.2 m -137.37 124.79 21.99 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.075 -179.833 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 36.1 m-85 -125.4 147.58 49.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.87 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 4.7 tp -158.5 115.07 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.121 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 7.1 ttmm -64.35 112.36 3.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.857 179.808 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 56.5 m -51.8 152.77 4.86 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-O 121.599 0.714 . . . . 0.0 110.928 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 75.31 1.22 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.665 2.243 . . . . 0.0 112.361 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 6.1 mmtp -144.0 68.39 1.27 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.865 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 2.8 p90 -96.54 88.32 4.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.847 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 9.5 t70 64.09 68.21 0.57 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.835 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 10.2 t30 -162.33 -49.72 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.922 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -176.88 55.47 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.879 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.61 174.86 11.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.871 179.876 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 37.7 t -51.47 149.49 4.24 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.832 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 38.9 p -136.74 39.68 2.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.163 -179.866 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -177.85 178.44 0.97 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.902 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -90.74 118.37 30.12 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.847 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 54.08 70.66 0.58 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.937 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 -79.89 -82.62 0.11 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.957 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 22.8 tttt 177.67 119.11 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.894 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 65.4 m -145.88 163.95 33.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.796 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 12.6 p -154.21 115.93 4.19 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.063 -179.865 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.401 ' HA ' ' HA ' ' A' ' 52' ' ' VAL . 39.1 t -87.17 141.08 14.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.134 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 63.9 t0 -117.32 110.47 18.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.839 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -68.64 -11.92 60.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.156 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 48.3 t80 -51.61 -55.19 20.69 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.91 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 34.9 p30 -150.76 39.83 0.72 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.896 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 4.9 m120 52.18 59.0 4.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.896 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -123.94 86.22 2.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.119 179.859 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.401 ' HA ' ' HA ' ' A' ' 45' ' ' VAL . 7.4 p -87.93 147.09 5.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.119 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -108.75 164.25 12.54 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.862 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 21.8 t -144.09 153.84 42.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.913 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.1 t70 . . . . . 0 C--N 1.328 -0.364 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.841 179.987 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.779 0.323 . . . . 0.0 111.135 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 12.6 mttt -85.29 139.78 31.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.929 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 9.1 m-30 -101.0 135.87 41.75 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.01 0.433 . . . . 0.0 110.881 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 28.3 m -79.73 95.05 5.86 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.181 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -111.48 177.67 19.07 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.489 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 16.7 mtpt -143.98 157.22 44.48 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.728 0.299 . . . . 0.0 110.906 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 5.8 p -128.26 155.17 45.0 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.877 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -97.25 147.72 23.84 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.039 -179.779 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 12.7 mtmt -53.21 -65.56 0.54 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.936 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.1 p -57.42 -47.56 81.42 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.805 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -110.97 96.7 6.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.893 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 62.5 t30 -79.21 76.45 5.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.937 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -131.64 149.8 52.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.884 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -79.8 116.38 19.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.86 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 15.6 tttt -118.7 91.19 3.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.859 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 12.8 p90 -126.89 175.51 7.99 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.942 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 13.2 ttpt -100.97 116.03 31.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.907 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -118.14 157.83 26.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.879 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 6.0 t70 71.67 -70.92 0.14 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.889 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -179.41 40.99 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.118 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 110.63 16.79 9.73 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.446 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 12.5 mmtt -79.73 108.58 13.4 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.738 0.304 . . . . 0.0 110.888 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -59.9 96.96 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.92 179.817 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 83.3 m -119.02 132.6 56.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.14 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 45.5 m-85 -122.64 144.33 49.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.821 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -156.67 120.22 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.17 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 10.4 mttt -50.37 151.94 2.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.862 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 56.2 m -114.77 157.07 44.02 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.675 0.75 . . . . 0.0 110.89 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 143.59 51.21 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.668 2.245 . . . . 0.0 112.328 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -163.61 49.91 0.14 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.898 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 3.6 p90 -79.52 62.24 3.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.86 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 66.37 64.77 0.5 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.827 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 179.88 -32.81 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.933 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -135.41 49.66 2.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.891 179.826 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 2.7 mttp -79.13 130.33 35.39 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.905 179.833 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 7.7 t -61.61 137.04 58.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.941 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 7.2 p -154.79 41.22 0.45 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.147 -179.853 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -179.82 125.5 0.08 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.848 179.902 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -50.72 122.04 6.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.825 179.871 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 61.15 62.19 1.44 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.864 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -70.48 -164.36 0.08 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.862 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 1.9 ttpt -106.74 110.01 22.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.87 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 1.3 m -107.94 -176.69 3.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.86 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -157.56 143.17 17.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.102 -179.85 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 75.8 t -147.5 106.62 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.094 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -79.97 145.24 32.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.928 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 19.0 p -90.63 -19.97 23.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.102 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 27.0 t80 -51.75 -47.75 63.97 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.901 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 34.7 p30 -155.02 39.75 0.42 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.94 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 4.7 m120 51.2 59.43 4.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.854 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -85.0 91.72 8.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.135 179.831 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 18.7 t -81.18 137.27 21.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.12 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -150.36 124.72 9.53 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.794 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.7 t -86.29 167.04 15.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.84 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.912 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.889 0.376 . . . . 0.0 111.085 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 34.4 mtmt -134.49 163.15 30.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.899 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 97.3 m-85 -145.4 126.4 14.56 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.994 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 15.3 t -101.53 133.96 45.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.153 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -153.93 -130.38 1.43 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.497 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -169.33 155.92 6.6 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.757 0.313 . . . . 0.0 110.929 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 1.9 p -127.04 149.63 49.82 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.93 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 10.5 p -91.44 142.17 27.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.164 -179.863 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 16.7 ptmt -50.99 -36.88 41.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.903 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 34.6 p -75.58 -31.46 60.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.908 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.47 104.69 7.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.921 179.904 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 25.9 t30 -79.38 73.5 6.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.819 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -140.56 152.54 45.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.896 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 36.7 t -95.37 115.81 27.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.878 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.22 67.48 1.59 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.858 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 19.5 p90 -94.92 -170.13 2.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.868 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 2.9 mttt -129.85 130.11 44.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.897 179.86 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -120.78 169.88 9.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.897 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 5.5 t70 71.81 -70.13 0.17 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.908 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -178.92 63.62 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.144 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 90.74 18.87 46.22 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.463 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 10.1 tttt -79.51 179.59 7.38 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.814 0.34 . . . . 0.0 110.94 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -114.92 129.26 56.67 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.897 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 96.7 m -142.97 128.01 18.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.16 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 45.5 m-85 -127.83 120.02 26.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.861 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 3.9 tp -135.32 109.45 10.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.083 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.03 115.77 3.37 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.866 179.878 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 52.3 m -52.91 152.96 6.5 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.642 0.734 . . . . 0.0 110.859 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 79.19 0.95 Allowed 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.664 2.243 . . . . 0.0 112.356 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 11.0 mmtt -147.08 62.3 1.18 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.883 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 16.3 m-85 -87.65 98.88 11.67 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.896 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 16.6 t0 56.82 73.68 0.44 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.874 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -178.45 -48.18 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.885 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.9 mptt -156.62 59.58 0.55 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.824 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.4 125.9 30.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.835 179.878 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -53.76 138.73 34.82 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.831 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 4.4 t -135.16 60.31 1.7 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.167 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -160.72 112.88 1.94 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.96 179.87 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -49.66 128.05 17.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.897 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 62.63 38.92 11.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.906 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -60.34 -169.8 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.903 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -109.43 107.96 18.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.949 179.816 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 11.2 p -131.07 154.58 48.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.864 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 36.9 p -147.47 118.46 7.68 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.149 -179.826 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 61.6 t -92.64 142.69 12.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.109 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 19.3 t0 -111.6 126.55 55.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.856 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -83.83 -10.82 57.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.107 -179.896 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -51.46 -57.16 9.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.912 -179.832 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 19.8 t30 -155.5 39.58 0.39 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.86 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.1 m120 60.28 69.65 0.68 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.898 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -132.26 83.54 2.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.138 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 11.2 p -89.79 145.77 7.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.161 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 78.7 m-20 -99.32 -175.62 3.06 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.951 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 14.8 p -148.09 151.59 35.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.872 -179.857 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 16.0 t70 . . . . . 0 C--N 1.328 -0.354 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.935 179.974 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.936 0.398 . . . . 0.0 111.086 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 39.1 mttt -102.01 168.96 9.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.831 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 92.1 m-85 -153.12 125.62 8.18 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.881 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 5.9 m -97.47 151.42 20.01 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.112 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -160.13 -136.29 2.0 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.467 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.416 ' HB2' ' HA ' ' A' ' 40' ' ' ASN . 0.0 OUTLIER -163.67 142.1 7.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.732 0.301 . . . . 0.0 110.886 -179.977 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 89.4 m -101.8 173.65 6.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.849 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 4.6 p -116.88 135.49 53.68 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.199 -179.846 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.25 -21.59 48.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.942 179.865 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 90.3 p -100.6 16.02 26.16 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.829 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -174.72 108.88 0.12 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.918 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 34.4 t30 -84.5 76.13 10.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.896 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -135.38 137.16 42.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.859 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -69.28 108.81 3.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.872 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.41 108.54 20.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.943 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 17.3 p90 -136.6 173.67 11.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.925 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 9.5 mttp -110.71 122.18 47.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.861 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -111.91 166.33 11.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.881 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 5.1 t70 71.98 -69.4 0.19 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.928 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -173.84 43.76 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.034 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 111.27 14.26 12.07 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.475 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.98 113.87 23.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.822 0.344 . . . . 0.0 110.821 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -51.8 148.17 6.01 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.836 179.844 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 14.1 m -149.65 135.36 18.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.201 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 17.3 m-85 -132.13 135.79 46.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.92 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -154.08 38.55 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.12 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 54.57 179.83 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.921 179.856 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.1 m -132.57 144.32 52.48 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-O 121.655 0.74 . . . . 0.0 110.892 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 70.97 1.56 Allowed 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.681 2.254 . . . . 0.0 112.358 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 14.8 mmtt -139.05 65.53 1.44 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.907 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 26.0 m-85 -80.2 86.56 5.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.892 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 10.7 t70 51.42 86.18 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -179.33 -40.25 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.876 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 7.8 tttp -174.97 66.48 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.866 179.867 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.2 mppt? -78.92 177.71 8.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.893 179.83 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 25.1 p -51.23 155.31 1.39 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.866 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 12.1 t -160.05 39.52 0.18 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.13 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.7 tmtt? -179.74 151.12 0.43 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.896 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -75.45 105.66 6.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.96 179.797 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . 0.416 ' HA ' ' HB2' ' A' ' 6' ' ' LYS . 1.2 m120 68.13 42.74 1.71 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.897 -179.838 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.2 p30 -54.75 -75.6 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.869 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 11.2 ttpt 178.09 146.95 0.14 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.913 179.875 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 3.1 p -150.58 176.56 10.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.834 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -166.2 144.23 5.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.174 -179.877 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 70.2 t -137.8 140.39 41.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.158 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 23.0 t0 -121.05 95.51 4.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.911 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.4 t -61.16 -16.32 43.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.19 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 91.6 t80 -51.5 -40.77 60.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.947 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 25.3 t30 -146.78 37.39 0.98 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.873 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 48.14 60.64 3.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.948 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -100.53 158.33 16.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.083 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 23.4 t -145.81 135.33 17.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.056 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -133.07 -176.12 4.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.832 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.6 t -164.96 166.89 19.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.845 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 17.8 t0 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.876 -179.987 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.806 0.336 . . . . 0.0 110.882 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 11.4 m-85 -145.42 155.56 43.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.946 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.434 HG23 HG23 ' A' ' 44' ' ' THR . 2.0 m -134.97 144.91 47.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.179 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -166.89 -154.45 8.42 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.526 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -144.19 170.96 14.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.797 0.332 . . . . 0.0 110.882 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 9.3 m -111.52 170.48 8.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.891 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -119.41 131.65 55.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.118 -179.862 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.29 -34.6 47.35 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.925 179.872 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 54.6 p -82.7 -25.77 32.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.91 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -145.0 111.73 5.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.894 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 27.0 t30 -79.92 74.0 6.68 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.861 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -135.98 151.93 50.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.886 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 25.9 t -87.69 105.1 17.14 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.843 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.69 61.28 6.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.885 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 21.5 p90 -96.56 -170.27 2.04 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.92 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -130.81 133.89 46.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.931 179.871 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.4 p-10 -118.6 168.37 10.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.905 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 25.2 t0 72.12 -69.42 0.19 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.872 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -173.96 44.81 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.134 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 106.37 17.53 12.36 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.541 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 3.2 tmtt? -79.85 115.91 19.71 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.767 0.317 . . . . 0.0 110.901 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -51.87 124.59 12.99 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.805 179.867 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 97.2 m -137.65 133.01 33.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.201 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 54.5 m-85 -130.6 112.74 13.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.857 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 6.1 tp -128.47 123.81 60.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.166 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 12.8 mtpt -66.95 127.21 31.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.915 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 19.9 m -73.02 153.65 90.82 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.566 0.698 . . . . 0.0 110.892 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.81 82.57 0.75 Allowed 'Trans proline' 0 C--N 1.34 0.121 0 C-N-CA 122.712 2.274 . . . . 0.0 112.32 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 3.7 mmtm -145.14 67.77 1.24 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.948 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 16.5 m-85 -79.74 108.1 13.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.859 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 51.74 32.29 9.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.9 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -125.52 -37.42 2.35 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.933 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 5.2 mttt -179.4 71.2 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.879 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 13.8 mtpp -83.31 53.98 2.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.879 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 19.7 t 64.03 153.27 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.938 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 7.5 p -154.76 39.12 0.43 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.197 -179.823 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 178.33 130.74 0.07 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.891 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -51.9 120.81 5.71 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.851 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 51.75 53.49 12.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.895 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -61.2 -76.53 0.05 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.935 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 18.8 tttt -179.3 143.69 0.21 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.879 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -152.21 167.26 29.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.907 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.434 HG23 HG23 ' A' ' 4' ' ' THR . 0.0 OUTLIER -165.23 138.23 4.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.112 -179.819 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.518 HG22 HG22 ' A' ' 52' ' ' VAL . 95.8 t -131.04 144.24 38.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.062 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -125.6 138.12 53.92 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.826 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 67.6 p -73.22 -10.56 59.89 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.161 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 9.6 t80 -51.58 -58.1 7.26 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.879 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ASN . . . . . 0.443 ' OD1' ' HB2' ' A' ' 51' ' ' ALA . 45.1 p30 -151.68 39.35 0.63 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.863 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 50.96 47.81 24.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.85 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.443 ' HB2' ' OD1' ' A' ' 49' ' ' ASN . . . -87.54 100.1 12.53 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.085 179.856 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.518 HG22 HG22 ' A' ' 45' ' ' VAL . 21.4 t -96.94 112.88 29.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.151 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 22.1 m-20 -84.53 179.95 7.28 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.973 179.843 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 16.6 p -150.18 146.65 26.99 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.872 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 22.0 t0 . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.912 179.95 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 47.9 mtmt . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.76 0.314 . . . . 0.0 110.87 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 15.7 m-85 -145.59 146.53 31.41 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.902 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 25.9 p -133.16 143.43 49.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.149 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -170.92 -150.13 6.85 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.444 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -148.76 166.49 28.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.785 0.326 . . . . 0.0 110.916 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 82.4 m -115.75 158.53 22.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.897 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.416 HG23 ' H ' ' A' ' 11' ' ' LYS . 2.0 t -108.29 142.59 38.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.178 -179.869 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 10.9 ptmm? -55.86 -26.12 45.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.954 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.2 p -74.63 -25.27 59.12 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.858 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.416 ' H ' HG23 ' A' ' 8' ' ' THR . 0.1 OUTLIER -155.69 117.3 3.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.928 179.948 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 11.6 t-20 -79.9 66.02 5.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.904 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 17.1 pt-20 -132.53 150.06 52.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.844 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 38.3 t -78.61 113.41 16.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.948 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 15.0 ptpt -100.72 66.49 1.21 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.88 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 14.9 p90 -101.78 178.7 4.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.944 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 17.4 mttt -107.15 102.08 11.44 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.913 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -92.65 144.33 25.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.947 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 26.0 t0 72.17 -69.32 0.19 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.781 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -170.21 52.1 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.1 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 83.22 28.37 37.06 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.489 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.39 127.82 32.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.851 0.358 . . . . 0.0 110.851 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -51.97 108.59 0.29 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.829 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 94.9 m -148.48 127.87 13.07 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.132 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 36.3 m-85 -137.27 127.04 25.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.962 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 17.2 tt -133.11 133.54 58.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.143 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.3 mppt? -65.83 133.23 50.53 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.916 179.828 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 60.2 m -78.11 153.58 79.86 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.629 0.728 . . . . 0.0 110.849 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 86.24 0.59 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.696 2.264 . . . . 0.0 112.301 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 68.9 mmtt -143.73 67.06 1.28 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.879 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 13.4 m-85 -79.88 74.24 6.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.901 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 8.9 t0 63.51 86.1 0.12 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.914 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -177.0 -35.93 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.903 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 7.5 tptm -175.7 57.99 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.901 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -79.93 158.34 26.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.851 179.867 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 40.7 t -52.25 148.77 6.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.875 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 10.4 p -148.87 39.84 0.87 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.128 -179.804 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -179.96 161.08 0.92 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.903 179.873 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -71.22 111.69 6.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.829 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 61.77 75.01 0.42 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.937 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -84.42 -78.64 0.23 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.923 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -179.34 143.98 0.21 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.923 179.872 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 19.1 p -169.45 153.64 5.3 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.836 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -138.35 162.3 34.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.116 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.491 HG22 HG22 ' A' ' 52' ' ' VAL . 86.5 t -150.4 143.69 17.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.117 179.858 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -122.59 148.75 44.86 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.874 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 71.1 p -83.9 -16.08 45.65 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.125 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 5.0 t80 -51.63 -56.24 14.72 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.972 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 28.0 t30 -151.6 39.22 0.63 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.832 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 6.8 m120 51.02 50.36 19.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.836 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -80.11 80.39 6.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.108 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.491 HG22 HG22 ' A' ' 45' ' ' VAL . 44.9 t -81.14 133.1 30.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.125 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 28.8 m-20 -115.79 -173.27 2.31 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.902 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -151.6 166.9 29.8 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.892 -179.905 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 65.4 t0 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.884 -179.969 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 6.0 mtmt . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.818 0.342 . . . . 0.0 110.873 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 14.5 m-85 -145.49 160.13 42.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.86 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 3.0 m -148.32 153.52 38.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.15 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 179.22 -145.5 6.68 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.453 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.0 175.79 9.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.704 0.288 . . . . 0.0 110.925 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -106.89 -172.54 2.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.852 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -135.17 131.38 36.71 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.062 -179.851 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.27 -27.2 54.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.875 179.872 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -86.26 -19.4 29.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.824 -179.902 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.1 ttmt -156.38 119.1 4.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.914 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 46.3 t30 -79.64 61.88 3.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.875 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 21.3 pt-20 -122.33 147.86 45.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.841 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 36.5 t -79.14 106.77 11.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.834 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -95.38 79.53 3.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.886 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 14.0 p90 -111.43 -170.51 1.66 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.888 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.26 127.07 40.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.888 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.5 p-10 -115.3 168.35 10.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.877 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 10.0 t0 72.09 -69.43 0.19 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.869 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -175.28 42.35 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.044 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 112.13 13.99 11.48 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.505 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.96 113.61 18.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.835 0.35 . . . . 0.0 110.922 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -52.9 131.49 35.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.872 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 97.4 m -140.56 131.81 26.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.199 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 53.1 m-85 -128.24 130.57 48.13 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.926 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.402 ' O ' HG23 ' A' ' 26' ' ' ILE . 6.1 tp -152.04 124.26 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.1 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 8.7 tttm -54.09 135.73 42.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.919 179.826 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 16.6 m -94.2 153.18 40.68 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.65 0.738 . . . . 0.0 110.856 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 80.43 0.87 Allowed 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.7 2.267 . . . . 0.0 112.333 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 23.1 mmtm -148.4 64.84 1.08 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.941 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 10.2 p90 -104.9 115.58 30.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.875 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 53.9 66.55 1.2 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.841 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -179.85 -34.73 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.94 -179.902 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.59 60.27 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.851 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -78.92 149.21 32.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.961 179.812 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 17.2 p -51.66 153.71 2.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.891 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 8.6 p -154.11 39.76 0.47 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.142 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 179.64 155.03 0.53 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.932 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -72.41 114.96 11.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.848 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 61.89 74.34 0.44 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.872 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 -84.49 -78.97 0.23 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.912 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 11.8 tttt -178.71 143.27 0.24 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.883 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 17.8 p -165.4 158.56 16.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.818 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -145.35 159.18 43.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.152 -179.841 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.412 HG22 HG13 ' A' ' 52' ' ' VAL . 84.6 t -150.33 143.16 17.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.119 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -126.49 143.57 51.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.846 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 59.9 p -76.84 -10.31 59.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.171 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 74.4 t80 -51.64 -58.27 6.82 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.91 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 53.2 p-10 -150.52 39.13 0.72 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.948 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 51.02 46.21 26.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -80.6 84.39 6.19 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.055 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.412 HG13 HG22 ' A' ' 45' ' ' VAL . 31.2 t -83.58 122.84 38.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.126 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 54.4 m-20 -110.25 -173.52 2.27 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.91 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -155.57 178.67 9.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.863 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 25.1 t0 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.852 -179.945 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.807 0.336 . . . . 0.0 110.962 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 37.2 m-85 -142.58 135.63 28.41 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.929 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 14.2 m -93.07 124.73 37.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.176 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -157.55 153.53 24.73 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.446 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.6 170.29 8.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.763 0.315 . . . . 0.0 110.899 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 68.4 m -136.97 156.22 48.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.91 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 2.7 t -104.8 145.61 30.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.152 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.84 -25.16 60.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.921 179.871 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 4.7 p -95.69 17.32 15.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.852 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -179.67 105.29 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.876 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 12.6 t-20 -85.98 75.93 9.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.855 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -140.34 136.99 33.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.835 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 4.4 t -75.96 105.08 6.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.866 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.66 52.02 2.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.915 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 28.8 p90 -85.19 179.07 7.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.927 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 5.5 ptpp? -126.38 135.31 51.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.875 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -120.04 176.33 5.48 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.893 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 23.4 t0 71.97 -69.52 0.18 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -177.12 39.92 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.168 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 113.63 14.13 9.83 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.459 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 3.7 mmtt -81.94 116.11 21.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.791 0.329 . . . . 0.0 110.943 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -51.76 127.65 21.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.871 179.862 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 98.1 m -136.94 133.35 35.56 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.149 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 54.6 m-85 -128.26 151.31 49.43 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.887 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.409 ' O ' HG23 ' A' ' 26' ' ' ILE . 5.9 tp -173.91 122.46 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.01 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.63 115.6 4.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.862 179.88 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.424 ' SG ' HG11 ' A' ' 52' ' ' VAL . 19.7 m -69.19 153.47 95.95 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.637 0.732 . . . . 0.0 110.871 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.77 78.92 0.98 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.677 2.251 . . . . 0.0 112.395 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 16.5 mmtt -144.08 68.05 1.27 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.94 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 5.2 p90 -102.27 110.97 23.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.887 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 52.39 69.04 0.73 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.896 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 8.9 t-20 -178.43 -47.37 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.885 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.24 58.08 0.46 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.91 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.55 ' O ' HG23 ' A' ' 37' ' ' THR . 0.1 OUTLIER -79.43 153.42 29.69 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.873 179.877 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 36.3 t -52.06 136.51 29.25 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.843 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.55 HG23 ' O ' ' A' ' 35' ' ' LYS . 43.4 p -138.04 45.96 2.09 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.112 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -176.33 158.44 1.86 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.88 179.851 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -77.9 119.48 21.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.871 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 2.9 m120 59.41 55.96 3.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.9 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -60.81 -167.23 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.898 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 4.7 ttpt -113.39 113.62 25.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.813 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' CYS . . . . . 0.472 ' O ' HG23 ' A' ' 44' ' ' THR . 0.1 OUTLIER -116.93 -169.95 1.74 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.856 179.916 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.472 HG23 ' O ' ' A' ' 43' ' ' CYS . 0.0 OUTLIER -177.29 156.58 1.24 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.105 -179.794 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.446 HG22 HG22 ' A' ' 52' ' ' VAL . 87.8 t -150.25 143.97 17.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.111 179.868 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.746 ' HB2' ' HB3' ' A' ' 51' ' ' ALA . 0.8 OUTLIER -116.47 130.03 56.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.85 179.958 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -73.69 -18.77 60.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.151 -179.887 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 9.2 t80 -51.69 -54.39 28.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.878 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 12.4 p-10 -151.28 39.11 0.66 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.913 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 50.77 54.33 11.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.871 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.746 ' HB3' ' HB2' ' A' ' 46' ' ' ASP . . . -90.64 89.16 7.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.116 179.833 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.446 HG22 HG22 ' A' ' 45' ' ' VAL . 21.6 t -82.66 141.29 15.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.092 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -127.87 137.24 52.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.902 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 15.7 p -96.84 156.53 16.31 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.963 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 37.2 t70 . . . . . 0 C--N 1.327 -0.376 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.897 -179.96 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 19.6 mtpt . . . . . 0 C--O 1.232 0.163 0 CA-C-O 120.743 0.306 . . . . 0.0 110.95 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 51.8 m-85 -149.11 147.58 28.66 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.035 0.445 . . . . 0.0 110.865 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.5 p -102.37 144.77 30.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.113 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -175.32 135.68 3.12 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.447 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.74 173.71 6.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.7 0.286 . . . . 0.0 110.877 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 59.7 m -126.72 154.86 43.59 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.899 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 6.4 p -108.36 145.1 35.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.191 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 6.8 mtmt -57.21 -25.99 59.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.952 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 53.5 p -100.19 17.85 20.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.848 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.0 mttp -179.37 108.67 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.832 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 27.5 t30 -89.33 76.09 7.62 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.891 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 22.6 pt-20 -139.58 153.94 47.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.827 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 3.4 t -87.79 102.43 14.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.892 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -88.68 64.6 7.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.892 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 32.8 p90 -96.62 177.82 5.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.921 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 21.2 mtmt -119.26 141.22 49.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.928 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.9 p-10 -126.18 169.22 13.05 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.893 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 13.1 t70 72.21 -69.44 0.19 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.859 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -173.85 40.88 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.154 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 111.96 15.23 10.18 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.515 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -80.04 113.82 18.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.811 0.339 . . . . 0.0 110.85 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -51.87 128.9 25.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.942 179.828 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 97.1 m -138.28 132.09 31.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.112 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 54.4 m-85 -127.68 136.34 51.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.934 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.409 ' O ' HG23 ' A' ' 26' ' ' ILE . 6.1 tp -157.34 123.06 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.111 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 12.2 pttt -58.46 132.65 54.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.843 179.839 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 20.1 m -87.43 153.24 53.26 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.624 0.726 . . . . 0.0 110.87 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 76.68 1.13 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.7 2.266 . . . . 0.0 112.348 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.5 mmtt -151.11 46.53 0.83 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.893 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 49.4 p90 -80.41 129.66 34.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.877 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 26.7 m-20 51.48 61.99 2.94 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.828 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 -179.38 -34.75 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.941 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -174.81 56.23 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.87 179.867 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 12.5 mtpt -79.88 56.98 2.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.867 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 36.5 t 64.54 145.02 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.885 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 6.9 p -154.83 37.62 0.41 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.13 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -177.96 131.75 0.15 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.887 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -51.79 120.57 5.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.879 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 62.38 75.66 0.39 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.855 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -79.06 -166.13 0.87 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.834 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 6.0 tttp -117.94 114.85 23.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.911 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' CYS . . . . . 0.451 ' O ' HG23 ' A' ' 44' ' ' THR . 0.0 OUTLIER -128.44 -172.0 2.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.877 -179.958 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.451 HG23 ' O ' ' A' ' 43' ' ' CYS . 0.0 OUTLIER -174.29 160.79 3.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.177 -179.878 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 96.8 t -147.18 144.03 19.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.116 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.457 ' HB2' ' HB3' ' A' ' 51' ' ' ALA . 0.1 OUTLIER -118.69 143.6 46.75 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.86 179.858 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -83.3 -16.61 45.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.137 -179.901 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 61.8 t80 -51.67 -56.93 10.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.939 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 45.2 p-10 -150.38 39.01 0.72 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.899 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 50.93 56.14 8.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.847 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.457 ' HB3' ' HB2' ' A' ' 46' ' ' ASP . . . -82.11 91.33 6.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.161 179.85 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 94.0 t -80.06 108.4 13.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.091 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -85.95 -172.42 4.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.873 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 16.7 p -154.31 157.75 39.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.877 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 11.1 t70 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.892 -179.928 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.703 0.287 . . . . 0.0 110.916 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.59 ' CE2' HG22 ' A' ' 47' ' ' THR . 16.5 m-85 -129.95 142.22 50.67 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.942 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.579 HG23 HG23 ' A' ' 44' ' ' THR . 4.0 m -127.74 158.1 38.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.109 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 179.75 -144.95 6.27 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.5 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 10.1 mtpt -145.79 -175.26 4.67 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.824 0.345 . . . . 0.0 110.853 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 60.4 m -144.53 162.23 37.1 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.835 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 16.2 p -112.43 135.12 53.52 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.183 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.65 -30.4 67.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.934 179.88 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 83.4 p -80.42 -24.65 39.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.826 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.58 107.13 5.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.927 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 19.4 t-20 -79.92 74.83 6.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.877 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -136.52 134.98 38.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.891 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.419 ' SG ' HG13 ' A' ' 52' ' ' VAL . 0.1 OUTLIER -70.75 103.85 2.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.884 -179.929 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -95.36 55.16 1.7 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.87 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.401 ' OH ' HG21 ' A' ' 24' ' ' THR . 37.3 p90 -79.77 -179.92 7.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.964 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -122.04 138.64 54.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.888 179.891 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -125.01 171.82 9.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.905 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 6.0 t70 72.1 -69.49 0.19 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.983 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -178.36 40.02 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.08 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 117.7 11.23 8.7 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.832 -0.699 . . . . 0.0 112.509 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -85.07 121.44 27.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.79 0.329 . . . . 0.0 110.9 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -51.61 142.91 13.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.866 179.853 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.401 HG21 ' OH ' ' A' ' 16' ' ' TYR . 3.6 m -147.08 132.04 18.15 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.139 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 13.4 m-85 -133.24 147.61 51.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.857 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.485 HG23 ' O ' ' A' ' 26' ' ' ILE . 6.1 tt -168.97 37.82 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.172 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 8.8 mttt 55.08 178.18 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.905 179.832 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -129.91 147.83 67.1 Favored Pre-proline 0 C--N 1.327 -0.382 0 CA-C-O 121.651 0.739 . . . . 0.0 110.815 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 71.43 1.51 Allowed 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.688 2.259 . . . . 0.0 112.401 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 15.0 mmtt -140.24 66.16 1.4 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.89 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 27.0 m-85 -79.44 86.33 5.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.845 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 51.52 85.55 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.87 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 6.6 t30 -179.88 -34.95 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.916 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 2.3 tptt -175.27 67.78 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.935 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.561 ' O ' HG23 ' A' ' 37' ' ' THR . 27.2 mttt -78.44 165.81 23.35 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.928 179.837 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 3.0 t -51.0 126.53 16.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.855 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.561 HG23 ' O ' ' A' ' 35' ' ' LYS . 73.0 p -131.18 39.87 3.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.173 -179.859 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 3.5 tttp -170.22 145.75 2.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.837 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -70.57 120.65 16.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.878 179.82 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 59.21 54.37 4.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.864 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -60.86 -168.38 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.858 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 9.4 ttpt -111.81 114.54 27.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.964 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' CYS . . . . . 0.493 ' O ' HG23 ' A' ' 44' ' ' THR . 14.2 p -122.44 179.85 4.44 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.894 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.579 HG23 HG23 ' A' ' 4' ' ' THR . 0.0 OUTLIER -178.64 130.57 0.12 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.157 -179.89 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.54 HG22 HG22 ' A' ' 52' ' ' VAL . 98.0 t -122.37 143.21 35.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.168 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 16.5 t0 -111.29 139.47 46.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.886 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.59 HG22 ' CE2' ' A' ' 3' ' ' TYR . 18.1 p -77.22 -11.99 59.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.102 -179.87 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 11.4 t80 -51.3 -54.67 23.9 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.928 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 12.0 p-10 -152.28 39.47 0.58 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.843 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 51.03 43.63 28.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.894 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -84.21 96.97 9.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.095 179.819 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.54 HG22 HG22 ' A' ' 45' ' ' VAL . 84.5 t -79.93 144.1 11.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.167 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -138.64 106.1 5.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.859 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.4 t -93.24 167.48 11.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.871 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.9 t0 . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.858 -179.957 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.85 0.357 . . . . 0.0 110.84 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 53.5 m-85 -150.04 133.25 16.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.921 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -99.9 124.22 44.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.221 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -137.86 -150.2 5.65 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.417 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -166.73 152.76 8.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.687 0.28 . . . . 0.0 110.881 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 68.8 m -111.7 156.9 21.16 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.87 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 7.0 p -107.93 140.79 40.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.107 -179.85 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.4 ptpt -57.08 -21.86 34.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.858 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 40.5 p -79.33 -22.41 44.57 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.91 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -160.35 123.21 3.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.892 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 36.1 t30 -79.48 73.73 6.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.884 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.1 pp20? -136.32 162.66 32.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.858 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 37.4 t -103.03 104.65 14.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.911 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 5.9 ptpt -94.79 56.77 2.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.91 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 17.4 p90 -86.24 -173.14 4.41 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.876 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.92 130.62 45.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.865 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.3 p-10 -118.33 173.27 6.91 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.847 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 13.1 t0 72.15 -69.5 0.19 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.891 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -175.75 39.99 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.074 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 113.89 14.48 9.31 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.437 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.57 109.19 15.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.787 0.327 . . . . 0.0 110.869 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -54.0 122.85 10.99 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.853 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 98.8 m -129.06 134.4 48.09 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.116 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 50.8 m-85 -122.98 136.76 54.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.894 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.402 HG23 ' O ' ' A' ' 26' ' ' ILE . 6.0 tp -160.44 122.81 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.064 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.07 129.93 44.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.906 179.846 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 20.0 m -81.27 153.34 71.56 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.588 0.708 . . . . 0.0 110.871 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 86.63 0.57 Allowed 'Trans proline' 0 N--CA 1.464 -0.222 0 C-N-CA 122.726 2.284 . . . . 0.0 112.386 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 31.9 mmtt -143.94 66.9 1.28 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.89 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 15.1 m-85 -82.77 74.41 9.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.889 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 63.48 87.27 0.11 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.879 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -178.36 -35.53 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.852 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -175.54 58.56 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.87 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 40.5 mtpt -79.97 159.2 26.37 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.858 179.846 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 20.5 p -52.04 153.18 2.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.838 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 12.6 t -158.47 38.94 0.24 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.175 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 18.7 ttmt 179.5 126.42 0.07 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.862 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -51.68 124.31 12.04 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.86 179.876 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ASN . . . . . 0.43 ' N ' HD22 ' A' ' 40' ' ' ASN . 1.4 m-80 59.58 70.88 0.61 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.868 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -92.4 -79.01 0.4 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.93 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 11.5 tttm 179.05 142.52 0.12 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.869 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 2.8 t -154.02 163.09 40.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.877 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -148.64 150.72 33.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.142 -179.89 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 97.5 t -150.16 119.09 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.059 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.496 ' HB2' ' HB3' ' A' ' 51' ' ' ALA . 2.9 m-20 -103.65 153.16 20.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.939 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 81.5 p -89.64 -16.35 30.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.095 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 71.5 t80 -51.59 -55.11 21.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.904 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 46.5 p30 -149.84 39.08 0.77 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.879 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 7.3 m120 50.61 57.88 6.14 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.843 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.496 ' HB3' ' HB2' ' A' ' 46' ' ' ASP . . . -81.25 82.84 7.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.105 179.85 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 43.4 t -80.01 95.16 2.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.139 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -81.29 -172.59 3.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.909 179.885 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -166.68 143.79 4.89 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.887 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.837 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 36.7 mtmt . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.819 0.343 . . . . 0.0 110.875 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 31.7 m-85 -146.69 177.8 8.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.919 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.519 ' CG2' HG23 ' A' ' 44' ' ' THR . 0.0 OUTLIER -157.39 150.82 23.88 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.158 179.97 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -159.53 -168.97 22.26 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.484 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 10.7 mttt -146.02 145.73 30.7 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.739 0.304 . . . . 0.0 110.951 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 87.9 m -88.35 173.91 8.46 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.819 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 18.0 p -124.81 47.45 2.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.145 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 10.2 mttt 63.92 -82.69 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.925 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 91.3 p -62.92 -48.45 78.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.837 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.44 91.38 8.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.876 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 48.1 t30 -78.58 59.12 2.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.892 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 20.5 pt-20 -118.22 151.23 38.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.914 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 39.8 t -89.13 117.84 28.41 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.921 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -101.79 100.74 11.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.939 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 31.3 p90 -132.3 177.32 7.67 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.86 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 2.1 ttmt -107.98 132.79 53.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.886 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 2.1 p-10 -129.25 163.6 25.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.926 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.416 ' O ' ' HB2' ' A' ' 20' ' ' ALA . 6.9 t70 71.41 -72.08 0.12 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.797 179.813 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.416 ' HB2' ' O ' ' A' ' 19' ' ' ASP . . . 178.64 39.89 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.06 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 129.72 -1.28 5.94 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.578 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.1 mtpp -80.02 129.76 34.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.724 0.297 . . . . 0.0 110.892 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -76.28 144.74 40.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.831 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 88.5 m -136.77 129.39 30.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.134 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 45.9 m-85 -131.62 123.37 27.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.881 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.432 HG23 ' O ' ' A' ' 26' ' ' ILE . 2.8 tt -146.93 118.71 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.118 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.0 123.95 16.96 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.927 179.786 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 8.0 m -75.95 153.95 84.84 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.599 0.714 . . . . 0.0 110.926 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 95.47 0.56 Allowed 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.736 2.291 . . . . 0.0 112.388 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 26.9 mmtm -152.13 64.64 0.83 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.876 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 23.6 m-85 -90.66 102.46 15.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.936 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 51.77 75.52 0.21 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.851 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 38.3 t-20 -174.46 -36.58 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.871 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -176.27 64.86 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.897 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 2.5 mttp -79.38 170.58 16.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.858 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 11.8 t -72.25 153.79 41.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.936 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 9.0 p -154.29 41.25 0.48 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.153 -179.829 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 27.0 tttm 179.95 120.27 0.06 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.866 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -50.13 124.62 10.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.857 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 60.12 67.2 0.88 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.845 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -84.49 -78.45 0.24 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.944 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 5.3 tttt -179.44 138.49 0.14 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.858 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -148.2 157.59 43.58 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.844 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.519 HG23 ' CG2' ' A' ' 4' ' ' THR . 0.0 OUTLIER -153.64 150.18 28.34 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.113 -179.862 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.479 HG22 HG13 ' A' ' 52' ' ' VAL . 69.2 t -148.78 141.35 18.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.173 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -122.16 158.72 28.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.913 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 19.5 p -96.02 -7.47 36.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.163 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 62.1 t80 -51.72 -52.73 46.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.95 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ASN . . . . . 0.415 ' OD1' ' HB2' ' A' ' 51' ' ' ALA . 39.3 p-10 -150.12 39.12 0.75 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.907 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 50.83 48.09 23.49 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.912 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.415 ' HB2' ' OD1' ' A' ' 49' ' ' ASN . . . -88.84 115.45 26.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.137 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.479 HG13 HG22 ' A' ' 45' ' ' VAL . 21.7 t -104.93 103.91 16.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.09 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -79.73 169.18 18.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.943 179.88 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -134.14 163.16 30.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.837 -179.872 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.867 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 41.0 mttt . . . . . 0 C--O 1.23 0.046 0 CA-C-O 120.813 0.339 . . . . 0.0 110.89 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 -146.19 152.81 39.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.945 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 14.9 t -139.6 140.1 36.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.166 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -156.89 -146.89 4.6 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.487 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 6.4 mttm -145.96 169.68 18.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.855 0.36 . . . . 0.0 110.846 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 59.6 m -119.3 154.58 33.29 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.832 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.7 t -109.59 141.37 42.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.145 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 13.4 ptmm? -60.11 -24.07 64.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.932 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 93.0 p -79.29 -18.29 52.96 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.896 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -160.53 117.54 2.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.852 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 54.5 t30 -79.58 58.27 2.67 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.892 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 21.6 pt-20 -129.07 133.25 47.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.868 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 2.1 p -58.62 147.69 31.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.861 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.53 82.02 1.98 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.881 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 7.5 p90 -121.79 -169.81 1.94 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.932 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 7.1 pttt -125.38 118.49 26.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.843 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -109.78 160.02 16.69 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.895 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 14.7 t0 72.05 -69.66 0.18 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.798 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -176.36 49.26 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.077 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 99.27 20.04 19.17 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.496 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -79.73 131.01 35.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.774 0.321 . . . . 0.0 110.907 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -67.84 122.95 19.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.886 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 98.1 m -147.99 129.8 15.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.144 -179.841 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 40.0 m-85 -137.35 127.21 25.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.87 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 2.6 tt -136.25 137.07 48.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.156 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 5.1 mtpt -69.05 134.0 48.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.862 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 14.5 m -84.18 153.73 63.04 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.56 0.695 . . . . 0.0 110.913 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 66.87 1.78 Allowed 'Trans proline' 0 C--O 1.231 0.129 0 C-N-CA 122.69 2.26 . . . . 0.0 112.317 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.3 mptp? -139.96 45.68 1.88 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.894 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 27.1 m-85 -77.55 97.25 4.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.863 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 64.68 41.46 5.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.859 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 19.8 t30 -135.58 -50.0 0.72 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.846 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 4.1 tttt -177.03 55.02 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.903 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 15.1 ptpt -79.63 173.0 13.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.865 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 26.1 t -52.4 151.94 3.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.853 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 11.9 t -139.39 39.74 2.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.184 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -179.39 173.4 1.1 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.898 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -83.06 102.98 12.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.886 179.824 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.7 m120 63.69 77.47 0.32 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.861 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 6.0 m-20 -87.08 -79.64 0.27 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.83 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 12.0 tttt -179.12 142.83 0.2 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.911 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 16.9 p -168.8 169.24 10.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.892 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -144.0 164.72 29.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.169 -179.779 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.404 HG22 HG13 ' A' ' 52' ' ' VAL . 94.6 t -150.18 143.7 17.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.154 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.595 ' HB2' ' HB3' ' A' ' 51' ' ' ALA . 2.8 m-20 -122.74 162.35 22.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.849 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -107.92 -17.72 13.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.166 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 4.9 t80 -51.54 -52.42 47.18 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.906 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 47.6 t30 -151.55 39.3 0.64 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.917 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 50.7 72.5 0.34 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.889 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.595 ' HB3' ' HB2' ' A' ' 46' ' ' ASP . . . -109.74 104.71 13.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.072 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.404 HG13 HG22 ' A' ' 45' ' ' VAL . 21.4 t -106.36 150.32 9.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.147 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -134.33 -177.04 4.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.825 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 16.3 p -148.97 165.24 32.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.923 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 20.2 t0 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.866 -179.963 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.458 -0.051 0 CA-C-O 120.801 0.334 . . . . 0.0 110.859 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 22.1 m-85 -146.09 163.86 33.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.861 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -148.93 140.93 23.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.175 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -174.96 -157.82 17.37 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.504 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.56 165.37 27.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.76 0.314 . . . . 0.0 110.909 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 10.6 p -114.99 160.55 19.44 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.866 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 6.6 p -105.82 160.65 15.08 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.058 -179.794 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -65.99 -30.73 71.33 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.937 179.862 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 17.4 p -65.92 -20.91 66.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.871 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.1 tmtt? -174.09 127.95 0.37 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.867 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 45.7 t-20 -79.86 67.3 5.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.843 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -119.36 142.19 48.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.845 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 36.0 t -78.36 105.44 9.61 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.884 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -91.97 72.28 5.59 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.835 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 13.8 p90 -103.7 -170.11 1.73 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.922 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -135.18 127.71 30.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.864 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -114.87 166.42 11.79 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.885 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 5.9 t70 71.99 -69.42 0.19 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.916 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -178.17 61.05 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.135 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 90.68 19.54 43.89 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.444 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.83 121.63 25.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.791 0.329 . . . . 0.0 110.932 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -58.38 116.81 3.86 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.877 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 98.2 m -136.83 131.3 33.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.139 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 51.7 m-85 -131.23 129.57 41.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.411 HG23 ' O ' ' A' ' 26' ' ' ILE . 10.5 tt -140.88 122.61 14.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.138 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -56.23 140.16 45.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.897 179.869 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 17.0 m -104.53 153.37 39.2 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.706 0.765 . . . . 0.0 110.867 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 128.37 15.93 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.732 2.288 . . . . 0.0 112.325 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.39 46.21 1.05 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.914 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 28.3 m-85 -79.13 84.16 5.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.841 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 51.75 39.24 25.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.842 179.88 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 9.3 t-20 -125.3 -35.79 2.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.837 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.4 mmtt 178.25 75.49 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.853 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.2 mttm -77.45 131.02 37.77 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.958 179.784 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 14.7 p -51.15 145.85 7.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.897 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 8.7 p -154.31 39.01 0.45 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.106 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 178.08 127.42 0.05 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.874 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -48.24 126.4 11.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.852 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 59.61 72.06 0.55 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.874 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -89.7 -79.63 0.33 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.927 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 179.35 144.55 0.16 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.863 179.854 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 28.8 p -169.65 147.57 3.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.889 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -132.1 158.88 40.49 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.099 -179.806 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 93.2 t -150.24 137.74 13.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.201 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -117.54 157.33 26.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.879 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 26.4 p -98.95 -9.55 23.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.096 -179.849 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 70.7 t80 -51.76 -51.29 57.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.841 -179.874 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 38.2 p30 -149.41 39.03 0.8 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.905 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 50.6 59.81 4.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.846 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -91.46 140.51 29.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.107 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 16.0 t -133.41 128.62 55.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.147 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -120.81 170.25 9.65 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.823 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 20.6 p -127.34 166.12 18.43 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.891 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 9.7 t0 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.84 -179.93 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 37.3 mtpt . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.785 0.326 . . . . 0.0 110.939 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.539 ' CE2' HG22 ' A' ' 47' ' ' THR . 27.1 m-85 -142.95 115.55 8.62 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.994 0.425 . . . . 0.0 110.932 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 15.0 t -104.02 138.18 40.93 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.095 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -163.61 -155.84 8.41 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.419 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 19.8 mtpp -138.78 -172.29 3.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.766 0.317 . . . . 0.0 110.933 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -125.67 -176.18 3.54 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.921 179.9 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 2.2 t -146.47 137.39 24.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.123 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.8 mtpm? -53.9 -30.33 45.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.906 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 12.5 p -60.01 -24.12 64.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.855 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -175.46 130.54 0.27 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.941 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 13.3 t30 -78.51 70.12 4.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.869 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 21.1 pt-20 -127.26 139.39 52.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.889 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 34.9 t -60.77 135.49 57.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.892 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 6.1 ttpp -123.11 97.13 5.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.866 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.511 ' OH ' HG21 ' A' ' 24' ' ' THR . 24.3 p90 -127.55 176.94 7.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.963 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.43 128.81 52.54 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.937 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -119.39 167.72 11.65 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.833 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 24.4 t0 71.99 -69.56 0.18 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.869 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -171.48 41.51 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.068 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 109.15 17.04 10.47 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.538 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 3.5 tmtt? -83.16 112.72 20.09 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.748 0.309 . . . . 0.0 110.952 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -54.73 123.62 13.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.828 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.511 HG21 ' OH ' ' A' ' 16' ' ' TYR . 89.9 m -132.24 145.62 51.44 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.156 -179.881 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 12.5 m-85 -140.75 160.93 38.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.828 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.493 HG23 ' O ' ' A' ' 26' ' ' ILE . 2.2 tt -169.84 39.67 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.154 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.453 ' HG2' ' O ' ' A' ' 26' ' ' ILE . 0.0 OUTLIER 56.56 172.45 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.917 179.898 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -131.63 149.87 74.7 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.636 0.731 . . . . 0.0 110.849 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.66 84.64 0.63 Allowed 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.728 2.286 . . . . 0.0 112.38 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 39.1 mmtm -153.31 60.96 0.76 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.846 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 37.0 m-85 -79.89 93.05 5.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.878 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 51.26 82.05 0.06 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.902 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 5.8 t30 179.82 -34.68 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.902 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.9 mttt -169.59 67.2 0.06 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.898 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.72 154.3 32.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.941 179.837 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 49.3 t -50.97 145.64 7.08 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.836 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 8.6 p -154.3 40.34 0.47 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.173 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 179.02 120.9 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.881 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -49.73 125.45 11.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.832 179.891 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 3.6 m120 57.3 69.22 0.76 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.909 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 6.2 m-20 -83.88 -80.74 0.18 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.896 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 1.5 ttmt -179.71 143.67 0.19 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.868 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' CYS . . . . . 0.497 ' O ' HG23 ' A' ' 44' ' ' THR . 12.2 m -151.1 176.93 10.69 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.921 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.497 HG23 ' O ' ' A' ' 43' ' ' CYS . 0.0 OUTLIER -178.38 145.88 0.35 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.128 -179.877 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 92.7 t -147.34 142.34 19.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.078 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -112.88 131.31 55.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.847 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.539 HG22 ' CE2' ' A' ' 3' ' ' TYR . 68.2 p -64.98 -15.53 62.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.115 -179.893 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 80.8 t80 -51.69 -57.2 9.88 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.904 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 52.5 p-10 -151.4 39.23 0.65 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.897 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 50.78 46.58 25.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.896 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -79.86 96.63 6.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.154 179.866 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 21.4 t -79.95 150.35 4.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.106 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -146.78 90.83 1.95 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.877 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -63.01 177.2 0.61 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.877 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 43.9 t0 . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.86 -179.984 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.855 0.36 . . . . 0.0 110.904 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 12.5 m-85 -145.63 171.37 14.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.895 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -150.74 166.54 30.13 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.128 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 168.67 176.84 39.2 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.407 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.5 mttm -115.36 169.52 9.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.794 0.331 . . . . 0.0 110.91 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -101.2 -179.02 3.92 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.86 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -135.46 132.1 36.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.134 -179.866 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 21.4 mtmt -53.72 -31.86 49.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.948 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 43.6 p -81.76 -25.01 35.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.884 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.91 114.39 5.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.873 179.871 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 35.7 t30 -80.0 73.67 6.78 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.949 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 18.4 pt-20 -138.2 155.68 48.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.947 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 37.5 t -90.85 113.67 25.9 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.882 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.73 100.87 12.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.905 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 35.1 p90 -133.0 176.89 8.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.906 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 2.4 ttmt -108.57 134.14 51.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.909 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ASN . . . . . 0.4 ' O ' ' HB3' ' A' ' 19' ' ' ASP . 1.8 p-10 -131.27 178.16 6.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.898 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.4 ' HB3' ' O ' ' A' ' 18' ' ' ASN . 25.9 t70 64.15 -81.72 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.857 179.882 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -170.76 47.82 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.127 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 114.34 9.31 15.36 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.516 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 41.3 tttp -87.1 143.02 27.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.786 0.327 . . . . 0.0 110.866 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -87.3 143.2 27.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.87 179.814 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 97.1 m -146.44 134.88 21.96 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.13 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 55.8 m-85 -128.07 117.33 21.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.919 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.401 HG23 ' O ' ' A' ' 26' ' ' ILE . 6.1 tp -123.44 123.92 68.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.145 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 25.1 mttp -77.24 117.57 18.89 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.904 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 19.5 m -68.87 153.26 96.22 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.616 0.722 . . . . 0.0 110.938 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 68.24 1.7 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.7 2.267 . . . . 0.0 112.37 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 20.7 mmtp -144.3 54.61 1.27 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.889 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 26.3 p90 -99.78 41.06 1.18 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.894 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 174.73 -25.89 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.899 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -102.17 -17.45 15.98 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.931 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -179.58 72.71 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.931 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.41 50.41 1.1 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.892 179.879 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 8.2 t 62.12 159.25 0.06 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.852 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 12.6 t -174.81 38.91 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.137 -179.869 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.5 ttmt 176.93 118.01 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.941 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -49.49 113.01 0.73 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.89 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.4 m120 64.35 71.58 0.47 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.911 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -81.76 -79.48 0.17 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.858 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 5.5 tttt -179.43 143.6 0.2 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.888 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -153.67 171.14 19.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.896 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -158.46 150.51 21.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.16 -179.857 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 88.1 t -148.75 137.62 15.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.204 179.85 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -123.77 158.64 31.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.818 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 55.8 p -93.54 -9.07 39.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.094 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 5.0 t80 -51.69 -56.63 12.57 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.938 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 6.6 t30 -151.48 39.25 0.64 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.87 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 50.91 56.53 7.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.907 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -88.36 108.56 19.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.102 179.864 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 21.9 t -102.54 113.02 37.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.104 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -106.42 178.07 4.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.843 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -142.07 176.86 8.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.918 -179.858 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 44.5 t0 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.886 179.996 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 2.9 mtpm? . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.828 0.347 . . . . 0.0 110.889 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.632 ' O ' HG22 ' A' ' 44' ' ' THR . 51.6 m-85 -138.11 132.92 32.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.926 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -86.26 128.47 34.92 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.129 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -159.15 173.08 35.95 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.516 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.5 169.6 17.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.757 0.313 . . . . 0.0 110.944 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 6.0 p -137.64 156.38 48.11 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.937 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.673 HG23 ' H ' ' A' ' 11' ' ' LYS . 3.8 t -98.35 148.25 23.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.16 -179.877 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.37 -21.86 38.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.933 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 4.8 p -87.58 -20.21 26.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.829 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.673 ' H ' HG23 ' A' ' 8' ' ' THR . 1.3 tppt? -145.62 112.49 6.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.877 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 52.1 t30 -81.52 56.89 3.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.871 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -118.8 141.49 48.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.919 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 34.4 t -84.62 113.98 21.66 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.934 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.75 76.27 2.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.874 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 46.1 p90 -104.71 174.78 5.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.938 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -105.16 135.49 46.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.892 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.3 p-10 -134.45 164.8 26.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.844 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.407 ' O ' ' HB2' ' A' ' 20' ' ' ALA . 19.4 t0 71.5 -71.66 0.13 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.828 179.852 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.407 ' HB2' ' O ' ' A' ' 19' ' ' ASP . . . 178.92 39.87 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.087 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 128.79 -1.3 6.33 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.517 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 5.1 mmtp -79.84 120.75 24.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.79 0.329 . . . . 0.0 110.869 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 26.5 m-20 -75.63 119.28 19.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.873 179.839 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 18.4 m -105.62 133.47 50.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.176 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 46.2 m-85 -129.49 122.34 29.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.848 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.433 HG23 ' O ' ' A' ' 26' ' ' ILE . 5.2 tp -152.68 117.83 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.092 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -52.72 129.36 29.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.947 179.816 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 7.0 m -79.37 154.07 76.68 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-O 121.612 0.72 . . . . 0.0 110.854 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 85.12 0.63 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.638 2.225 . . . . 0.0 112.362 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 7.9 mmtt -148.31 72.66 1.21 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.906 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.438 ' O ' ' N ' ' A' ' 33' ' ' ASN . 40.7 m-85 -73.11 -164.57 0.18 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.842 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -49.11 90.85 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.871 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.438 ' N ' ' O ' ' A' ' 31' ' ' PHE . 0.5 OUTLIER 177.65 -51.58 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.896 -179.88 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 8.1 mmtm -153.57 60.36 0.75 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.866 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.39 164.53 24.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.947 179.81 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 23.3 p -51.29 140.73 16.36 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.852 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 17.2 p -151.27 47.08 0.83 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.133 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.83 146.66 0.74 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.887 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -71.23 119.72 15.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.891 179.846 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 60.45 57.49 2.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.856 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -61.13 -166.85 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.86 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -110.86 113.17 25.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.925 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' CYS . . . . . 0.407 ' O ' HG23 ' A' ' 44' ' ' THR . 1.2 m -128.55 172.97 10.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.839 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.632 HG22 ' O ' ' A' ' 3' ' ' TYR . 0.1 OUTLIER -164.75 165.47 20.69 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.15 -179.939 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.4 HG13 ' O ' ' A' ' 51' ' ' ALA . 66.6 t -149.79 128.75 3.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.122 179.893 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.434 ' HB2' ' HB3' ' A' ' 51' ' ' ALA . 2.1 m-20 -106.46 124.47 49.65 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.864 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -73.07 -13.47 61.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.154 -179.891 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 66.3 t80 -51.95 -45.73 64.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.879 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 79.3 m-20 -146.54 38.17 1.02 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.871 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 47.58 44.78 17.42 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.929 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.434 ' HB3' ' HB2' ' A' ' 46' ' ' ASP . . . -83.62 149.69 26.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.146 179.858 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 21.1 t -133.04 107.54 11.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.154 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -80.98 153.95 27.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.908 179.899 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -136.3 137.6 40.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.876 -179.883 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 7.8 t0 . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.832 -179.94 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.831 0.348 . . . . 0.0 110.915 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.506 ' O ' HG22 ' A' ' 44' ' ' THR . 45.2 m-85 -129.74 165.64 21.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.912 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 15.2 t -145.82 133.76 21.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.125 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -150.97 -138.62 2.86 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.484 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 9.3 mtmm -144.21 169.75 17.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.827 0.346 . . . . 0.0 110.908 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 2.1 p -135.8 150.28 49.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.811 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -89.38 147.31 24.12 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.146 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -55.11 -74.68 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.837 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 52.6 p -58.99 -34.75 72.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.861 -179.849 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.91 93.3 4.46 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.868 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 -79.39 72.45 6.01 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.948 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -137.55 143.26 41.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.934 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 54.0 t -86.19 116.71 24.55 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.93 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -104.07 59.79 0.73 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.885 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 10.4 p90 -91.29 -172.62 3.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.95 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 17.0 mttp -126.81 126.71 43.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.879 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.3 p-10 -115.01 168.27 10.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.86 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 6.3 t0 71.71 -70.24 0.16 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.855 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -179.16 39.9 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.074 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 122.02 7.66 7.73 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.546 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.83 107.91 12.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.787 0.327 . . . . 0.0 110.938 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -56.19 129.3 39.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.903 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 99.8 m -128.49 130.97 48.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.251 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 54.5 m-85 -128.7 118.39 22.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.85 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.452 HG23 ' O ' ' A' ' 26' ' ' ILE . 9.6 tt -147.0 109.19 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.191 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.36 131.61 28.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.902 179.891 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 10.2 m -74.08 152.84 88.58 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.638 0.732 . . . . 0.0 110.889 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 64.82 1.84 Allowed 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.68 2.254 . . . . 0.0 112.39 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.8 mptp? -142.18 45.23 1.66 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.896 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 19.0 m-85 -78.75 120.65 23.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.86 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 64.49 15.03 9.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.896 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 2.9 m-80 -127.88 -36.23 2.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.895 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 10.2 ttmt -175.58 64.05 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.855 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 21.3 mtpt -77.83 59.13 2.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.936 179.805 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 19.5 t 64.2 153.64 0.05 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.831 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 24.3 p -148.76 39.02 0.85 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.191 -179.868 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 177.98 130.2 0.06 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.955 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -50.34 123.26 8.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.884 179.881 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 50.22 52.79 14.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -60.23 -169.54 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.926 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 4.8 tttt -103.3 110.98 23.17 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.924 179.856 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 15.7 p -119.73 -170.0 1.87 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.902 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.506 HG22 ' O ' ' A' ' 3' ' ' TYR . 0.0 OUTLIER -169.3 158.43 8.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.111 -179.838 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 88.0 t -150.46 102.84 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.136 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.763 ' HB3' ' HB3' ' A' ' 51' ' ' ALA . 0.0 OUTLIER -86.55 141.51 28.99 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.802 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -88.94 -21.25 23.67 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.177 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 12.2 t80 -47.65 -46.91 29.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.95 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 36.7 t30 -152.93 38.08 0.51 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.858 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 47.11 68.48 0.63 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.845 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.763 ' HB3' ' HB3' ' A' ' 46' ' ' ASP . . . -99.12 103.58 15.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.088 179.888 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 19.7 t -97.47 130.76 45.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.105 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 75.9 m-20 -130.9 167.04 19.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.898 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 16.7 p -151.91 165.33 34.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.863 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.82 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 2.3 pttt . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.759 0.314 . . . . 0.0 110.943 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 69.8 m-85 -120.07 145.81 46.52 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.919 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 10.1 m -112.05 124.22 51.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.181 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -145.72 -138.27 3.21 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.453 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -162.43 176.47 10.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.766 0.317 . . . . 0.0 110.897 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -118.1 -176.85 3.14 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.88 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -125.78 134.84 51.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.138 -179.891 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 14.2 ptpt -54.05 -36.98 63.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.892 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 2.8 p -97.07 21.56 9.64 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.862 -179.88 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -179.51 104.99 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.864 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 45.6 t30 -79.87 62.73 4.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.933 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 17.9 pt-20 -131.24 136.01 47.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.89 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 2.5 p -62.63 147.4 49.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.924 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 3.4 ptmm? -134.23 75.03 1.57 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.928 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 8.4 p90 -117.16 -171.29 2.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.9 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 21.0 mttt -124.05 120.41 32.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.859 179.871 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.6 p-10 -110.88 161.11 16.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.917 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 6.2 t70 71.83 -69.69 0.18 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.86 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -178.22 40.14 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.104 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 111.59 16.44 9.4 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.517 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -79.92 111.36 16.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.771 0.319 . . . . 0.0 110.896 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 32.7 m-20 -52.86 127.25 22.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.932 179.843 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 99.2 m -149.29 129.43 13.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.148 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 38.7 m-85 -135.4 124.62 24.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.931 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.41 HD12 ' N ' ' A' ' 27' ' ' LYS . 2.9 tp -137.48 128.66 39.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.112 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.41 ' N ' HD12 ' A' ' 26' ' ' ILE . 14.3 mttt -61.77 136.11 57.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.953 179.823 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 9.6 m -88.54 144.49 33.7 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.622 0.725 . . . . 0.0 110.904 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 64.84 1.81 Allowed 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.717 2.278 . . . . 0.0 112.332 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 11.5 mmtp -144.39 53.01 1.26 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.904 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 32.3 p90 -98.98 39.7 1.26 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.907 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 174.89 -26.16 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.899 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 9.5 m-20 -102.84 -16.36 15.93 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.848 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 3.2 tptt -176.01 69.83 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.93 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.673 ' O ' HG23 ' A' ' 37' ' ' THR . 0.2 OUTLIER -77.82 105.83 9.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.861 179.898 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 1.3 m -52.27 131.72 33.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.843 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.673 HG23 ' O ' ' A' ' 35' ' ' LYS . 21.0 p -138.94 39.87 2.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.116 -179.846 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.72 154.58 42.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.92 179.817 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -86.17 115.05 23.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.889 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 65.87 29.99 10.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.86 -179.887 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -51.44 -77.39 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.906 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 6.1 ttpt 179.78 148.71 0.29 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.916 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -162.88 172.46 15.1 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.876 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -159.3 155.56 27.1 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.092 -179.843 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 78.5 t -150.91 105.02 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.152 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.508 ' OD2' ' HB3' ' A' ' 51' ' ' ALA . 1.7 m-20 -88.84 121.02 30.78 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.913 179.881 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -73.3 -14.69 61.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.194 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 4.8 t80 -50.75 -48.68 59.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.927 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -151.27 38.8 0.65 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.861 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 49.5 59.78 4.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.888 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.508 ' HB3' ' OD2' ' A' ' 46' ' ' ASP . . . -104.78 105.87 16.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.073 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 12.3 t -100.47 141.75 16.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.108 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -118.8 -171.46 2.1 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.868 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -156.29 162.3 40.12 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.884 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 26.3 t0 . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.936 179.987 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.158 0 CA-C-O 120.798 0.332 . . . . 0.0 110.926 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.44 ' CE2' HG22 ' A' ' 47' ' ' THR . 17.4 m-85 -142.83 159.22 42.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.893 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 15.0 t -143.96 140.15 29.49 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.116 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -162.56 -163.46 15.34 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.513 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -146.7 155.78 42.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.775 0.322 . . . . 0.0 110.903 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 39.2 m -113.28 153.95 27.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.882 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.462 HG23 ' N ' ' A' ' 11' ' ' LYS . 14.6 t -100.74 164.63 11.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.08 -179.807 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 11.0 mtpt -66.8 -26.7 67.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.942 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 58.9 p -99.69 20.05 14.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.856 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.462 ' N ' HG23 ' A' ' 8' ' ' THR . 0.3 OUTLIER -179.95 113.3 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.878 179.969 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 51.8 t30 -94.47 62.31 2.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.844 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 22.4 pt-20 -128.0 142.79 51.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.846 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 17.1 t -81.0 110.07 16.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.942 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -89.44 68.59 7.89 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.92 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 32.0 p90 -103.74 177.61 4.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.987 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 9.0 mttp -121.79 139.39 53.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.943 179.86 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.8 p-10 -123.59 169.7 11.18 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.842 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 20.0 t0 72.12 -69.47 0.19 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.867 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -175.51 41.34 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.133 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 113.82 13.47 10.24 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.528 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -80.0 112.9 17.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.774 0.321 . . . . 0.0 110.88 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -51.95 130.5 29.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.934 179.817 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 96.9 m -138.93 130.33 27.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.12 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 49.4 m-85 -130.49 133.01 45.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.882 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.417 HG23 ' O ' ' A' ' 26' ' ' ILE . 12.6 tt -156.41 121.14 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.115 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.4 mmtt -58.78 129.55 42.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.938 179.799 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.406 ' SG ' HG11 ' A' ' 52' ' ' VAL . 15.7 m -81.1 151.34 69.91 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.622 0.725 . . . . 0.0 110.859 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.68 72.24 1.42 Allowed 'Trans proline' 0 C--N 1.34 0.131 0 C-N-CA 122.727 2.285 . . . . 0.0 112.357 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.27 68.9 1.33 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.902 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.455 ' O ' ' N ' ' A' ' 33' ' ' ASN . 42.3 m-85 -73.11 -164.12 0.17 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.843 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -47.05 91.25 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.87 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.455 ' N ' ' O ' ' A' ' 31' ' ' PHE . 4.9 t30 175.87 -52.55 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.856 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 3.5 ttpt -149.38 56.12 0.98 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.95 179.834 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -79.28 174.13 11.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.911 179.859 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 10.2 t -67.67 149.78 49.58 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.888 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 40.1 p -146.43 39.92 1.09 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.173 -179.849 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 179.26 122.97 0.05 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.819 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -50.89 114.3 1.13 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.847 179.89 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 62.59 75.37 0.4 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.879 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -88.31 -79.38 0.3 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.874 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 7.5 tttt -179.47 130.89 0.1 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.891 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -138.87 -179.73 6.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.847 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -172.43 149.05 2.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.125 -179.875 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.501 HG22 HG22 ' A' ' 52' ' ' VAL . 97.3 t -149.04 138.82 16.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.166 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -114.95 146.56 41.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.847 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.44 HG22 ' CE2' ' A' ' 3' ' ' TYR . 48.2 p -82.11 -13.74 56.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.13 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 5.0 t80 -51.66 -55.35 19.92 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.932 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 3.9 t30 -151.47 39.22 0.64 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.928 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 50.78 46.26 26.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.899 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -83.51 108.3 16.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.121 179.866 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.501 HG22 HG22 ' A' ' 45' ' ' VAL . 20.7 t -99.81 150.69 5.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.084 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -129.09 175.6 8.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.825 179.874 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 16.6 p -137.04 156.21 48.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.918 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 48.0 t0 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.88 -179.916 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 27.0 mttp . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.861 0.363 . . . . 0.0 110.92 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 90.1 m-85 -142.62 128.1 18.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.937 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 15.2 t -81.11 134.55 35.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.15 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -171.02 -170.1 34.81 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.471 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.39 169.47 21.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.758 0.313 . . . . 0.0 110.955 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 18.9 m -118.53 167.26 11.78 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.904 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 8.3 p -119.4 147.26 44.57 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.157 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.16 -25.3 58.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.901 179.858 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.0 p -102.78 17.43 23.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.831 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -179.54 96.44 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.935 179.888 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 42.5 t30 -79.92 64.57 4.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.875 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 23.0 pt-20 -137.18 134.25 36.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.891 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.417 ' SG ' HG23 ' A' ' 45' ' ' VAL . 2.1 t -72.93 96.75 2.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.88 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 3.8 mtmt -81.19 61.82 4.88 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.859 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 29.1 p90 -96.57 178.82 5.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.915 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 8.5 ptpt -122.03 139.51 53.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.878 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -126.79 168.58 14.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.825 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 6.2 t70 72.02 -69.75 0.18 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.863 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -178.47 56.62 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.103 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 93.89 20.28 31.59 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.471 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.7 156.71 27.42 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.804 0.335 . . . . 0.0 110.917 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -89.74 112.41 23.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.859 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 96.2 m -137.37 124.79 21.99 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.075 -179.833 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 36.1 m-85 -125.4 147.58 49.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.87 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.436 HG23 ' O ' ' A' ' 26' ' ' ILE . 4.7 tp -158.5 115.07 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.121 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 7.1 ttmm -64.35 112.36 3.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.857 179.808 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.541 ' HA ' HG11 ' A' ' 52' ' ' VAL . 56.5 m -51.8 152.77 4.86 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-O 121.599 0.714 . . . . 0.0 110.928 179.892 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.565 ' HD2' HG13 ' A' ' 52' ' ' VAL . 54.2 Cg_endo -69.77 75.31 1.22 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.665 2.243 . . . . 0.0 112.361 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 6.1 mmtp -144.0 68.39 1.27 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.865 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 2.8 p90 -96.54 88.32 4.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.847 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 9.5 t70 64.09 68.21 0.57 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.835 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 10.2 t30 -162.33 -49.72 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.922 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -176.88 55.47 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.879 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.61 174.86 11.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.871 179.876 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 37.7 t -51.47 149.49 4.24 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.832 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 38.9 p -136.74 39.68 2.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.163 -179.866 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -177.85 178.44 0.97 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.902 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -90.74 118.37 30.12 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.847 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 54.08 70.66 0.58 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.937 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 -79.89 -82.62 0.11 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.957 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 22.8 tttt 177.67 119.11 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.894 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 65.4 m -145.88 163.95 33.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.796 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 12.6 p -154.21 115.93 4.19 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.063 -179.865 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.548 HG22 ' HB ' ' A' ' 52' ' ' VAL . 39.1 t -87.17 141.08 14.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.134 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 63.9 t0 -117.32 110.47 18.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.839 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -68.64 -11.92 60.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.156 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 48.3 t80 -51.61 -55.19 20.69 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.91 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 34.9 p30 -150.76 39.83 0.72 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.896 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 4.9 m120 52.18 59.0 4.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.896 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -123.94 86.22 2.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.119 179.859 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.565 HG13 ' HD2' ' A' ' 29' ' ' PRO . 7.4 p -87.93 147.09 5.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.119 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -108.75 164.25 12.54 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.862 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 21.8 t -144.09 153.84 42.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.913 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.1 t70 . . . . . 0 C--N 1.328 -0.364 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.841 179.987 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 12.6 mttt . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.739 0.304 . . . . 0.0 110.929 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 9.1 m-30 -101.0 135.87 41.75 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.01 0.433 . . . . 0.0 110.881 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 28.3 m -79.73 95.05 5.86 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.181 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -111.48 177.67 19.07 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.489 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 16.7 mtpt -143.98 157.22 44.48 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.728 0.299 . . . . 0.0 110.906 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 5.8 p -128.26 155.17 45.0 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.877 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -97.25 147.72 23.84 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.039 -179.779 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 12.7 mtmt -53.21 -65.56 0.54 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.936 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.1 p -57.42 -47.56 81.42 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.805 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -110.97 96.7 6.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.893 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ASN . . . . . 0.425 ' ND2' ' HB2' ' A' ' 36' ' ' CYS . 3.7 t-20 -79.21 76.45 5.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.937 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -131.64 149.8 52.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.884 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -79.8 116.38 19.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.86 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 15.6 tttt -118.7 91.19 3.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.859 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 12.8 p90 -126.89 175.51 7.99 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.942 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 13.2 ttpt -100.97 116.03 31.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.907 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.5 p-10 -118.14 157.83 26.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.879 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 6.0 t70 71.67 -70.92 0.14 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.889 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -179.41 40.99 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.118 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 110.63 16.79 9.73 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.446 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 12.5 mmtt -79.73 108.58 13.4 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.738 0.304 . . . . 0.0 110.888 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -59.9 96.96 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.92 179.817 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 83.3 m -119.02 132.6 56.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.14 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 45.5 m-85 -122.64 144.33 49.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.821 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.42 HG23 ' O ' ' A' ' 26' ' ' ILE . 1.0 OUTLIER -156.67 120.22 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.17 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 10.4 mttt -50.37 151.94 2.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.862 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 56.2 m -114.77 157.07 44.02 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.675 0.75 . . . . 0.0 110.89 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 143.59 51.21 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.668 2.245 . . . . 0.0 112.328 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -163.61 49.91 0.14 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.898 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 3.6 p90 -79.52 62.24 3.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.86 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 66.37 64.77 0.5 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.827 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 179.88 -32.81 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.933 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -135.41 49.66 2.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.891 179.826 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 2.7 mttp -79.13 130.33 35.39 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.905 179.833 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.425 ' HB2' ' ND2' ' A' ' 12' ' ' ASN . 7.7 t -61.61 137.04 58.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.941 179.891 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 7.2 p -154.79 41.22 0.45 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.147 -179.853 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -179.82 125.5 0.08 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.848 179.902 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -50.72 122.04 6.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.825 179.871 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 61.15 62.19 1.44 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.864 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -70.48 -164.36 0.08 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.862 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 1.9 ttpt -106.74 110.01 22.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.87 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 1.3 m -107.94 -176.69 3.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.86 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -157.56 143.17 17.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.102 -179.85 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 75.8 t -147.5 106.62 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.094 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.658 ' CB ' ' HB3' ' A' ' 51' ' ' ALA . 4.5 t0 -79.97 145.24 32.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.928 179.863 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 19.0 p -90.63 -19.97 23.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.102 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 27.0 t80 -51.75 -47.75 63.97 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.901 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 34.7 p30 -155.02 39.75 0.42 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.94 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 4.7 m120 51.2 59.43 4.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.854 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.658 ' HB3' ' CB ' ' A' ' 46' ' ' ASP . . . -85.0 91.72 8.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.135 179.831 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 18.7 t -81.18 137.27 21.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.12 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -150.36 124.72 9.53 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.794 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.7 t -86.29 167.04 15.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.84 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.912 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 34.4 mtmt . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.847 0.356 . . . . 0.0 110.899 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 97.3 m-85 -145.4 126.4 14.56 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.994 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.419 ' HA ' HG22 ' A' ' 44' ' ' THR . 15.3 t -101.53 133.96 45.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.153 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -153.93 -130.38 1.43 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.497 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -169.33 155.92 6.6 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.757 0.313 . . . . 0.0 110.929 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 1.9 p -127.04 149.63 49.82 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.93 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 10.5 p -91.44 142.17 27.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.164 -179.863 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 16.7 ptmt -50.99 -36.88 41.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.903 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 34.6 p -75.58 -31.46 60.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.908 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.47 104.69 7.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.921 179.904 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 25.9 t30 -79.38 73.5 6.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.819 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -140.56 152.54 45.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.896 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 36.7 t -95.37 115.81 27.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.878 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.22 67.48 1.59 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.858 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 19.5 p90 -94.92 -170.13 2.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.868 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 2.9 mttt -129.85 130.11 44.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.897 179.86 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -120.78 169.88 9.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.897 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 5.5 t70 71.81 -70.13 0.17 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.908 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -178.92 63.62 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.144 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 90.74 18.87 46.22 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.463 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 10.1 tttt -79.51 179.59 7.38 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.814 0.34 . . . . 0.0 110.94 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -114.92 129.26 56.67 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.897 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 96.7 m -142.97 128.01 18.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.16 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 45.5 m-85 -127.83 120.02 26.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.861 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.461 HG23 ' O ' ' A' ' 26' ' ' ILE . 3.9 tp -135.32 109.45 10.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.083 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.03 115.77 3.37 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.866 179.878 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.524 ' HA ' HG11 ' A' ' 52' ' ' VAL . 52.3 m -52.91 152.96 6.5 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.642 0.734 . . . . 0.0 110.859 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.547 ' HD2' HG13 ' A' ' 52' ' ' VAL . 53.9 Cg_endo -69.73 79.19 0.95 Allowed 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.664 2.243 . . . . 0.0 112.356 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 11.0 mmtt -147.08 62.3 1.18 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.883 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 16.3 m-85 -87.65 98.88 11.67 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.896 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 16.6 t0 56.82 73.68 0.44 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.874 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -178.45 -48.18 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.885 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.9 mptt -156.62 59.58 0.55 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.824 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.4 125.9 30.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.835 179.878 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -53.76 138.73 34.82 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.831 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 4.4 t -135.16 60.31 1.7 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.167 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -160.72 112.88 1.94 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.96 179.87 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -49.66 128.05 17.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.897 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 62.63 38.92 11.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.906 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -60.34 -169.8 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.903 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -109.43 107.96 18.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.949 179.816 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 11.2 p -131.07 154.58 48.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.864 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.419 HG22 ' HA ' ' A' ' 4' ' ' THR . 36.9 p -147.47 118.46 7.68 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.149 -179.826 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.486 HG22 ' CG2' ' A' ' 52' ' ' VAL . 61.6 t -92.64 142.69 12.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.109 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 19.3 t0 -111.6 126.55 55.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.856 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -83.83 -10.82 57.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.107 -179.896 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -51.46 -57.16 9.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.912 -179.832 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 19.8 t30 -155.5 39.58 0.39 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.86 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.1 m120 60.28 69.65 0.68 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.898 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -132.26 83.54 2.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.138 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.547 HG13 ' HD2' ' A' ' 29' ' ' PRO . 11.2 p -89.79 145.77 7.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.161 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 78.7 m-20 -99.32 -175.62 3.06 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.951 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 14.8 p -148.09 151.59 35.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.872 -179.857 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 16.0 t70 . . . . . 0 C--N 1.328 -0.354 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.935 179.974 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 39.1 mttt . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.82 0.343 . . . . 0.0 110.831 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 92.1 m-85 -153.12 125.62 8.18 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.881 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 5.9 m -97.47 151.42 20.01 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.112 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -160.13 -136.29 2.0 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.467 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.444 ' HB2' ' HA ' ' A' ' 40' ' ' ASN . 0.0 OUTLIER -163.67 142.1 7.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.732 0.301 . . . . 0.0 110.886 -179.977 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 89.4 m -101.8 173.65 6.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.849 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 4.6 p -116.88 135.49 53.68 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.199 -179.846 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.25 -21.59 48.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.942 179.865 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 90.3 p -100.6 16.02 26.16 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.829 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -174.72 108.88 0.12 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.918 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 18.4 t-20 -84.5 76.13 10.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.896 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -135.38 137.16 42.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.859 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.436 ' SG ' HG13 ' A' ' 52' ' ' VAL . 0.1 OUTLIER -69.28 108.81 3.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.872 -179.944 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.41 108.54 20.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.943 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.618 ' CD1' HG21 ' A' ' 45' ' ' VAL . 17.3 p90 -136.6 173.67 11.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.925 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 9.5 mttp -110.71 122.18 47.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.861 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.3 p-10 -111.91 166.33 11.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.881 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 5.1 t70 71.98 -69.4 0.19 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.928 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -173.84 43.76 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.034 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 111.27 14.26 12.07 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.475 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.98 113.87 23.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.822 0.344 . . . . 0.0 110.821 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -51.8 148.17 6.01 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.836 179.844 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 14.1 m -149.65 135.36 18.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.201 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 17.3 m-85 -132.13 135.79 46.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.92 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.464 HG23 ' O ' ' A' ' 26' ' ' ILE . 0.9 OUTLIER -154.08 38.55 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.12 -179.951 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 54.57 179.83 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.921 179.856 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.1 m -132.57 144.32 52.48 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-O 121.655 0.74 . . . . 0.0 110.892 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 70.97 1.56 Allowed 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.681 2.254 . . . . 0.0 112.358 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 14.8 mmtt -139.05 65.53 1.44 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.907 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 26.0 m-85 -80.2 86.56 5.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.892 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 10.7 t70 51.42 86.18 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -179.33 -40.25 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.876 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 7.8 tttp -174.97 66.48 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.866 179.867 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.2 mppt? -78.92 177.71 8.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.893 179.83 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 25.1 p -51.23 155.31 1.39 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.866 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 12.1 t -160.05 39.52 0.18 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.13 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.7 tmtt? -179.74 151.12 0.43 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.896 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -75.45 105.66 6.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.96 179.797 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ASN . . . . . 0.444 ' HA ' ' HB2' ' A' ' 6' ' ' LYS . 1.2 m120 68.13 42.74 1.71 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.897 -179.838 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.2 p30 -54.75 -75.6 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.869 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 11.2 ttpt 178.09 146.95 0.14 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.913 179.875 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 3.1 p -150.58 176.56 10.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.834 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -166.2 144.23 5.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.174 -179.877 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.618 HG21 ' CD1' ' A' ' 16' ' ' TYR . 70.2 t -137.8 140.39 41.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.158 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.668 ' HB3' ' HB3' ' A' ' 51' ' ' ALA . 23.0 t0 -121.05 95.51 4.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.911 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.4 t -61.16 -16.32 43.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.19 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 91.6 t80 -51.5 -40.77 60.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.947 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 25.3 t30 -146.78 37.39 0.98 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.873 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 48.14 60.64 3.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.948 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.668 ' HB3' ' HB3' ' A' ' 46' ' ' ASP . . . -100.53 158.33 16.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.083 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.436 HG13 ' SG ' ' A' ' 14' ' ' CYS . 23.4 t -145.81 135.33 17.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.056 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -133.07 -176.12 4.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.832 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.6 t -164.96 166.89 19.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.845 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 17.8 t0 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.876 -179.987 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.479 ' HB3' HG21 ' A' ' 47' ' ' THR . . . . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.913 0.387 . . . . 0.0 111.069 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -162.28 167.72 23.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.882 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 11.4 m-85 -145.42 155.56 43.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.946 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.434 HG23 HG23 ' A' ' 44' ' ' THR . 2.0 m -134.97 144.91 47.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.179 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -166.89 -154.45 8.42 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.526 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -144.19 170.96 14.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.797 0.332 . . . . 0.0 110.882 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 9.3 m -111.52 170.48 8.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.891 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -119.41 131.65 55.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.118 -179.862 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.29 -34.6 47.35 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.925 179.872 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 54.6 p -82.7 -25.77 32.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.91 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -145.0 111.73 5.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.894 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 27.0 t30 -79.92 74.0 6.68 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.861 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -135.98 151.93 50.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.886 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 25.9 t -87.69 105.1 17.14 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.843 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.69 61.28 6.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.885 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 21.5 p90 -96.56 -170.27 2.04 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.92 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -130.81 133.89 46.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.931 179.871 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.4 p-10 -118.6 168.37 10.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.905 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 25.2 t0 72.12 -69.42 0.19 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.872 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -173.96 44.81 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.134 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 106.37 17.53 12.36 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.541 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 3.2 tmtt? -79.85 115.91 19.71 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.767 0.317 . . . . 0.0 110.901 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -51.87 124.59 12.99 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.805 179.867 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 97.2 m -137.65 133.01 33.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.201 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 54.5 m-85 -130.6 112.74 13.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.857 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 6.1 tp -128.47 123.81 60.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.166 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 12.8 mtpt -66.95 127.21 31.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.915 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 19.9 m -73.02 153.65 90.82 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.566 0.698 . . . . 0.0 110.892 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.81 82.57 0.75 Allowed 'Trans proline' 0 C--N 1.34 0.121 0 C-N-CA 122.712 2.274 . . . . 0.0 112.32 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 3.7 mmtm -145.14 67.77 1.24 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.948 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 16.5 m-85 -79.74 108.1 13.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.859 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 51.74 32.29 9.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.9 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -125.52 -37.42 2.35 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.933 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 5.2 mttt -179.4 71.2 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.879 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 13.8 mtpp -83.31 53.98 2.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.879 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 19.7 t 64.03 153.27 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.938 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 7.5 p -154.76 39.12 0.43 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.197 -179.823 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 178.33 130.74 0.07 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.891 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -51.9 120.81 5.71 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.851 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 51.75 53.49 12.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.895 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -61.2 -76.53 0.05 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.935 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 18.8 tttt -179.3 143.69 0.21 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.879 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -152.21 167.26 29.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.907 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.434 HG23 HG23 ' A' ' 4' ' ' THR . 0.0 OUTLIER -165.23 138.23 4.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.112 -179.819 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.518 HG22 HG22 ' A' ' 52' ' ' VAL . 95.8 t -131.04 144.24 38.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.062 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -125.6 138.12 53.92 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.826 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.479 HG21 ' HB3' ' A' ' 1' ' ' ALA . 67.6 p -73.22 -10.56 59.89 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.161 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 9.6 t80 -51.58 -58.1 7.26 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.879 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 0.443 ' OD1' ' HB2' ' A' ' 51' ' ' ALA . 45.1 p30 -151.68 39.35 0.63 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.863 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 50.96 47.81 24.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.85 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.443 ' HB2' ' OD1' ' A' ' 49' ' ' ASN . . . -87.54 100.1 12.53 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.085 179.856 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.518 HG22 HG22 ' A' ' 45' ' ' VAL . 21.4 t -96.94 112.88 29.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.151 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 22.1 m-20 -84.53 179.95 7.28 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.973 179.843 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 16.6 p -150.18 146.65 26.99 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.872 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 22.0 t0 . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.912 179.95 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.568 ' HB3' HG21 ' A' ' 47' ' ' THR . . . . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.806 0.336 . . . . 0.0 111.148 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 47.9 mtmt -151.78 170.07 20.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.87 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 15.7 m-85 -145.59 146.53 31.41 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.902 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 25.9 p -133.16 143.43 49.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.149 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -170.92 -150.13 6.85 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.444 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -148.76 166.49 28.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.785 0.326 . . . . 0.0 110.916 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 82.4 m -115.75 158.53 22.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.897 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.416 HG23 ' H ' ' A' ' 11' ' ' LYS . 2.0 t -108.29 142.59 38.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.178 -179.869 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 10.9 ptmm? -55.86 -26.12 45.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.954 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.2 p -74.63 -25.27 59.12 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.858 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.416 ' H ' HG23 ' A' ' 8' ' ' THR . 0.1 OUTLIER -155.69 117.3 3.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.928 179.948 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 11.6 t-20 -79.9 66.02 5.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.904 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 17.1 pt-20 -132.53 150.06 52.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.844 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 38.3 t -78.61 113.41 16.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.948 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 15.0 ptpt -100.72 66.49 1.21 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.88 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 14.9 p90 -101.78 178.7 4.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.944 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 17.4 mttt -107.15 102.08 11.44 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.913 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -92.65 144.33 25.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.947 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 26.0 t0 72.17 -69.32 0.19 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.781 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -170.21 52.1 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.1 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 83.22 28.37 37.06 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.489 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.39 127.82 32.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.851 0.358 . . . . 0.0 110.851 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -51.97 108.59 0.29 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.829 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 94.9 m -148.48 127.87 13.07 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.132 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 36.3 m-85 -137.27 127.04 25.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.962 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 17.2 tt -133.11 133.54 58.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.143 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.3 mppt? -65.83 133.23 50.53 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.916 179.828 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 60.2 m -78.11 153.58 79.86 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.629 0.728 . . . . 0.0 110.849 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 86.24 0.59 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.696 2.264 . . . . 0.0 112.301 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 68.9 mmtt -143.73 67.06 1.28 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.879 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 13.4 m-85 -79.88 74.24 6.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.901 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 8.9 t0 63.51 86.1 0.12 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.914 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -177.0 -35.93 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.903 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 7.5 tptm -175.7 57.99 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.901 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -79.93 158.34 26.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.851 179.867 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 40.7 t -52.25 148.77 6.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.875 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 10.4 p -148.87 39.84 0.87 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.128 -179.804 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -179.96 161.08 0.92 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.903 179.873 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -71.22 111.69 6.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.829 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 61.77 75.01 0.42 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.937 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -84.42 -78.64 0.23 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.923 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -179.34 143.98 0.21 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.923 179.872 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 19.1 p -169.45 153.64 5.3 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.836 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -138.35 162.3 34.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.116 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.491 HG22 HG22 ' A' ' 52' ' ' VAL . 86.5 t -150.4 143.69 17.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.117 179.858 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -122.59 148.75 44.86 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.874 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.568 HG21 ' HB3' ' A' ' 1' ' ' ALA . 71.1 p -83.9 -16.08 45.65 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.125 -179.88 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 5.0 t80 -51.63 -56.24 14.72 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.972 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 28.0 t30 -151.6 39.22 0.63 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.832 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 6.8 m120 51.02 50.36 19.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.836 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -80.11 80.39 6.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.108 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.491 HG22 HG22 ' A' ' 45' ' ' VAL . 44.9 t -81.14 133.1 30.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.125 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 28.8 m-20 -115.79 -173.27 2.31 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.902 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -151.6 166.9 29.8 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.892 -179.905 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 65.4 t0 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.884 -179.969 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.617 ' HB3' HG21 ' A' ' 47' ' ' THR . . . . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.757 0.313 . . . . 0.0 111.112 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 6.0 mtmt -163.0 169.1 20.11 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.873 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 14.5 m-85 -145.49 160.13 42.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.86 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 3.0 m -148.32 153.52 38.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.15 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 179.22 -145.5 6.68 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.453 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.0 175.79 9.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.704 0.288 . . . . 0.0 110.925 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -106.89 -172.54 2.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.852 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -135.17 131.38 36.71 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.062 -179.851 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.27 -27.2 54.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.875 179.872 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -86.26 -19.4 29.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.824 -179.902 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.1 ttmt -156.38 119.1 4.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.914 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 46.3 t30 -79.64 61.88 3.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.875 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 21.3 pt-20 -122.33 147.86 45.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.841 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 36.5 t -79.14 106.77 11.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.834 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -95.38 79.53 3.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.886 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 14.0 p90 -111.43 -170.51 1.66 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.888 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.26 127.07 40.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.888 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.5 p-10 -115.3 168.35 10.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.877 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 10.0 t0 72.09 -69.43 0.19 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.869 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -175.28 42.35 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.044 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 112.13 13.99 11.48 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.505 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.96 113.61 18.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.835 0.35 . . . . 0.0 110.922 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -52.9 131.49 35.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.872 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 97.4 m -140.56 131.81 26.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.199 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 53.1 m-85 -128.24 130.57 48.13 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.926 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.402 ' O ' HG23 ' A' ' 26' ' ' ILE . 6.1 tp -152.04 124.26 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.1 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 8.7 tttm -54.09 135.73 42.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.919 179.826 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 16.6 m -94.2 153.18 40.68 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.65 0.738 . . . . 0.0 110.856 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 80.43 0.87 Allowed 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.7 2.267 . . . . 0.0 112.333 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 23.1 mmtm -148.4 64.84 1.08 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.941 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 10.2 p90 -104.9 115.58 30.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.875 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 53.9 66.55 1.2 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.841 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -179.85 -34.73 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.94 -179.902 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.59 60.27 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.851 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -78.92 149.21 32.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.961 179.812 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 17.2 p -51.66 153.71 2.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.891 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 8.6 p -154.11 39.76 0.47 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.142 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 179.64 155.03 0.53 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.932 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -72.41 114.96 11.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.848 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 61.89 74.34 0.44 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.872 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 -84.49 -78.97 0.23 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.912 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 11.8 tttt -178.71 143.27 0.24 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.883 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 17.8 p -165.4 158.56 16.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.818 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -145.35 159.18 43.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.152 -179.841 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.412 HG22 HG13 ' A' ' 52' ' ' VAL . 84.6 t -150.33 143.16 17.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.119 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -126.49 143.57 51.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.846 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.617 HG21 ' HB3' ' A' ' 1' ' ' ALA . 59.9 p -76.84 -10.31 59.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.171 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 74.4 t80 -51.64 -58.27 6.82 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.91 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 53.2 p-10 -150.52 39.13 0.72 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.948 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 51.02 46.21 26.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -80.6 84.39 6.19 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.055 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.412 HG13 HG22 ' A' ' 45' ' ' VAL . 31.2 t -83.58 122.84 38.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.126 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 54.4 m-20 -110.25 -173.52 2.27 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.91 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -155.57 178.67 9.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.863 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 25.1 t0 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.852 -179.945 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.718 ' HB3' ' OG1' ' A' ' 47' ' ' THR . . . . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.83 0.347 . . . . 0.0 111.095 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -139.8 161.61 37.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.962 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 37.2 m-85 -142.58 135.63 28.41 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.929 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 14.2 m -93.07 124.73 37.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.176 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -157.55 153.53 24.73 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.446 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.6 170.29 8.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.763 0.315 . . . . 0.0 110.899 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 68.4 m -136.97 156.22 48.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.91 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 2.7 t -104.8 145.61 30.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.152 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.84 -25.16 60.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.921 179.871 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 4.7 p -95.69 17.32 15.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.852 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -179.67 105.29 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.876 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 12.6 t-20 -85.98 75.93 9.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.855 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -140.34 136.99 33.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.835 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 4.4 t -75.96 105.08 6.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.866 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.66 52.02 2.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.915 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 28.8 p90 -85.19 179.07 7.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.927 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 5.5 ptpp? -126.38 135.31 51.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.875 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -120.04 176.33 5.48 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.893 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 23.4 t0 71.97 -69.52 0.18 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -177.12 39.92 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.168 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 113.63 14.13 9.83 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.459 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 3.7 mmtt -81.94 116.11 21.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.791 0.329 . . . . 0.0 110.943 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -51.76 127.65 21.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.871 179.862 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 98.1 m -136.94 133.35 35.56 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.149 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 54.6 m-85 -128.26 151.31 49.43 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.887 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.409 ' O ' HG23 ' A' ' 26' ' ' ILE . 5.9 tp -173.91 122.46 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.01 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.63 115.6 4.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.862 179.88 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.424 ' SG ' HG11 ' A' ' 52' ' ' VAL . 19.7 m -69.19 153.47 95.95 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.637 0.732 . . . . 0.0 110.871 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.77 78.92 0.98 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.677 2.251 . . . . 0.0 112.395 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 16.5 mmtt -144.08 68.05 1.27 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.94 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 5.2 p90 -102.27 110.97 23.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.887 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 52.39 69.04 0.73 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.896 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 8.9 t-20 -178.43 -47.37 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.885 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.24 58.08 0.46 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.91 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.55 ' O ' HG23 ' A' ' 37' ' ' THR . 0.1 OUTLIER -79.43 153.42 29.69 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.873 179.877 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 36.3 t -52.06 136.51 29.25 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.843 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.55 HG23 ' O ' ' A' ' 35' ' ' LYS . 43.4 p -138.04 45.96 2.09 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.112 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -176.33 158.44 1.86 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.88 179.851 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -77.9 119.48 21.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.871 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 2.9 m120 59.41 55.96 3.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.9 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -60.81 -167.23 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.898 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 4.7 ttpt -113.39 113.62 25.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.813 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' CYS . . . . . 0.472 ' O ' HG23 ' A' ' 44' ' ' THR . 0.1 OUTLIER -116.93 -169.95 1.74 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.856 179.916 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.472 HG23 ' O ' ' A' ' 43' ' ' CYS . 0.0 OUTLIER -177.29 156.58 1.24 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.105 -179.794 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.446 HG22 HG22 ' A' ' 52' ' ' VAL . 87.8 t -150.25 143.97 17.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.111 179.868 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.746 ' HB2' ' HB3' ' A' ' 51' ' ' ALA . 0.8 OUTLIER -116.47 130.03 56.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.85 179.958 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.718 ' OG1' ' HB3' ' A' ' 1' ' ' ALA . 0.1 OUTLIER -73.69 -18.77 60.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.151 -179.887 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 9.2 t80 -51.69 -54.39 28.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.878 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 12.4 p-10 -151.28 39.11 0.66 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.913 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 50.77 54.33 11.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.871 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.746 ' HB3' ' HB2' ' A' ' 46' ' ' ASP . . . -90.64 89.16 7.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.116 179.833 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.446 HG22 HG22 ' A' ' 45' ' ' VAL . 21.6 t -82.66 141.29 15.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.092 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -127.87 137.24 52.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.902 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 15.7 p -96.84 156.53 16.31 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.963 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 37.2 t70 . . . . . 0 C--N 1.327 -0.376 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.897 -179.96 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.526 ' HB3' ' OG1' ' A' ' 47' ' ' THR . . . . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.791 0.329 . . . . 0.0 111.112 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 19.6 mtpt -143.12 165.51 27.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.95 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 51.8 m-85 -149.11 147.58 28.66 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.035 0.445 . . . . 0.0 110.865 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.5 p -102.37 144.77 30.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.113 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -175.32 135.68 3.12 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.447 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.74 173.71 6.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.7 0.286 . . . . 0.0 110.877 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 59.7 m -126.72 154.86 43.59 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.899 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 6.4 p -108.36 145.1 35.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.191 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 6.8 mtmt -57.21 -25.99 59.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.952 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 53.5 p -100.19 17.85 20.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.848 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.0 mttp -179.37 108.67 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.832 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 27.5 t30 -89.33 76.09 7.62 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.891 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 22.6 pt-20 -139.58 153.94 47.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.827 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 3.4 t -87.79 102.43 14.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.892 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -88.68 64.6 7.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.892 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 32.8 p90 -96.62 177.82 5.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.921 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 21.2 mtmt -119.26 141.22 49.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.928 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.9 p-10 -126.18 169.22 13.05 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.893 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 13.1 t70 72.21 -69.44 0.19 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.859 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -173.85 40.88 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.154 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 111.96 15.23 10.18 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.515 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -80.04 113.82 18.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.811 0.339 . . . . 0.0 110.85 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -51.87 128.9 25.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.942 179.828 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 97.1 m -138.28 132.09 31.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.112 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 54.4 m-85 -127.68 136.34 51.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.934 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.409 ' O ' HG23 ' A' ' 26' ' ' ILE . 6.1 tp -157.34 123.06 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.111 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 12.2 pttt -58.46 132.65 54.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.843 179.839 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 20.1 m -87.43 153.24 53.26 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.624 0.726 . . . . 0.0 110.87 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 76.68 1.13 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.7 2.266 . . . . 0.0 112.348 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.5 mmtt -151.11 46.53 0.83 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.893 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 49.4 p90 -80.41 129.66 34.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.877 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 26.7 m-20 51.48 61.99 2.94 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.828 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 -179.38 -34.75 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.941 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -174.81 56.23 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.87 179.867 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 12.5 mtpt -79.88 56.98 2.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.867 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 36.5 t 64.54 145.02 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.885 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 6.9 p -154.83 37.62 0.41 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.13 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -177.96 131.75 0.15 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.887 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -51.79 120.57 5.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.879 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 62.38 75.66 0.39 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.855 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -79.06 -166.13 0.87 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.834 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 6.0 tttp -117.94 114.85 23.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.911 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' CYS . . . . . 0.451 ' O ' HG23 ' A' ' 44' ' ' THR . 0.0 OUTLIER -128.44 -172.0 2.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.877 -179.958 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.451 HG23 ' O ' ' A' ' 43' ' ' CYS . 0.0 OUTLIER -174.29 160.79 3.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.177 -179.878 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 96.8 t -147.18 144.03 19.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.116 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.457 ' HB2' ' HB3' ' A' ' 51' ' ' ALA . 0.1 OUTLIER -118.69 143.6 46.75 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.86 179.858 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.526 ' OG1' ' HB3' ' A' ' 1' ' ' ALA . 0.9 OUTLIER -83.3 -16.61 45.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.137 -179.901 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 61.8 t80 -51.67 -56.93 10.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.939 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 45.2 p-10 -150.38 39.01 0.72 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.899 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 50.93 56.14 8.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.847 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.457 ' HB3' ' HB2' ' A' ' 46' ' ' ASP . . . -82.11 91.33 6.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.161 179.85 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 94.0 t -80.06 108.4 13.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.091 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -85.95 -172.42 4.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.873 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 16.7 p -154.31 157.75 39.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.877 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 11.1 t70 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.892 -179.928 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.824 0.345 . . . . 0.0 111.13 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -175.53 152.86 1.39 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.916 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.59 ' CE2' HG22 ' A' ' 47' ' ' THR . 16.5 m-85 -129.95 142.22 50.67 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.942 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.579 HG23 HG23 ' A' ' 44' ' ' THR . 4.0 m -127.74 158.1 38.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.109 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 179.75 -144.95 6.27 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.5 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 10.1 mtpt -145.79 -175.26 4.67 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.824 0.345 . . . . 0.0 110.853 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 60.4 m -144.53 162.23 37.1 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.835 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 16.2 p -112.43 135.12 53.52 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.183 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.65 -30.4 67.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.934 179.88 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 83.4 p -80.42 -24.65 39.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.826 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.58 107.13 5.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.927 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 19.4 t-20 -79.92 74.83 6.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.877 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -136.52 134.98 38.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.891 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.419 ' SG ' HG13 ' A' ' 52' ' ' VAL . 0.1 OUTLIER -70.75 103.85 2.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.884 -179.929 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -95.36 55.16 1.7 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.87 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.401 ' OH ' HG21 ' A' ' 24' ' ' THR . 37.3 p90 -79.77 -179.92 7.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.964 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -122.04 138.64 54.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.888 179.891 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -125.01 171.82 9.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.905 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 6.0 t70 72.1 -69.49 0.19 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.983 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -178.36 40.02 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.08 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 117.7 11.23 8.7 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.832 -0.699 . . . . 0.0 112.509 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -85.07 121.44 27.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.79 0.329 . . . . 0.0 110.9 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -51.61 142.91 13.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.866 179.853 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.401 HG21 ' OH ' ' A' ' 16' ' ' TYR . 3.6 m -147.08 132.04 18.15 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.139 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 13.4 m-85 -133.24 147.61 51.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.857 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.485 HG23 ' O ' ' A' ' 26' ' ' ILE . 6.1 tt -168.97 37.82 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.172 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 8.8 mttt 55.08 178.18 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.905 179.832 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -129.91 147.83 67.1 Favored Pre-proline 0 C--N 1.327 -0.382 0 CA-C-O 121.651 0.739 . . . . 0.0 110.815 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 71.43 1.51 Allowed 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.688 2.259 . . . . 0.0 112.401 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 15.0 mmtt -140.24 66.16 1.4 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.89 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 27.0 m-85 -79.44 86.33 5.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.845 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 51.52 85.55 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.87 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 6.6 t30 -179.88 -34.95 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.916 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 2.3 tptt -175.27 67.78 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.935 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.561 ' O ' HG23 ' A' ' 37' ' ' THR . 27.2 mttt -78.44 165.81 23.35 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.928 179.837 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 3.0 t -51.0 126.53 16.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.855 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.561 HG23 ' O ' ' A' ' 35' ' ' LYS . 73.0 p -131.18 39.87 3.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.173 -179.859 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 3.5 tttp -170.22 145.75 2.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.837 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -70.57 120.65 16.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.878 179.82 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 59.21 54.37 4.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.864 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -60.86 -168.38 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.858 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 9.4 ttpt -111.81 114.54 27.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.964 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' CYS . . . . . 0.493 ' O ' HG23 ' A' ' 44' ' ' THR . 14.2 p -122.44 179.85 4.44 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.894 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.579 HG23 HG23 ' A' ' 4' ' ' THR . 0.0 OUTLIER -178.64 130.57 0.12 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.157 -179.89 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.54 HG22 HG22 ' A' ' 52' ' ' VAL . 98.0 t -122.37 143.21 35.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.168 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 16.5 t0 -111.29 139.47 46.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.886 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.59 HG22 ' CE2' ' A' ' 3' ' ' TYR . 18.1 p -77.22 -11.99 59.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.102 -179.87 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 11.4 t80 -51.3 -54.67 23.9 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.928 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 12.0 p-10 -152.28 39.47 0.58 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.843 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 51.03 43.63 28.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.894 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -84.21 96.97 9.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.095 179.819 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.54 HG22 HG22 ' A' ' 45' ' ' VAL . 84.5 t -79.93 144.1 11.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.167 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -138.64 106.1 5.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.859 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.4 t -93.24 167.48 11.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.871 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.9 t0 . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.858 -179.957 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.45 ' HB3' ' CG2' ' A' ' 47' ' ' THR . . . . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.83 0.348 . . . . 0.0 111.146 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.07 161.96 39.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.84 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 53.5 m-85 -150.04 133.25 16.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.921 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -99.9 124.22 44.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.221 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -137.86 -150.2 5.65 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.417 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -166.73 152.76 8.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.687 0.28 . . . . 0.0 110.881 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 68.8 m -111.7 156.9 21.16 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.87 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 7.0 p -107.93 140.79 40.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.107 -179.85 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.4 ptpt -57.08 -21.86 34.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.858 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 40.5 p -79.33 -22.41 44.57 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.91 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -160.35 123.21 3.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.892 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 36.1 t30 -79.48 73.73 6.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.884 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.1 pp20? -136.32 162.66 32.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.858 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 37.4 t -103.03 104.65 14.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.911 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 5.9 ptpt -94.79 56.77 2.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.91 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 17.4 p90 -86.24 -173.14 4.41 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.876 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.92 130.62 45.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.865 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.3 p-10 -118.33 173.27 6.91 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.847 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 13.1 t0 72.15 -69.5 0.19 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.891 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -175.75 39.99 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.074 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 113.89 14.48 9.31 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.437 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.57 109.19 15.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.787 0.327 . . . . 0.0 110.869 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -54.0 122.85 10.99 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.853 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 98.8 m -129.06 134.4 48.09 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.116 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 50.8 m-85 -122.98 136.76 54.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.894 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.402 HG23 ' O ' ' A' ' 26' ' ' ILE . 6.0 tp -160.44 122.81 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.064 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.07 129.93 44.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.906 179.846 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 20.0 m -81.27 153.34 71.56 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.588 0.708 . . . . 0.0 110.871 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 86.63 0.57 Allowed 'Trans proline' 0 N--CA 1.464 -0.222 0 C-N-CA 122.726 2.284 . . . . 0.0 112.386 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 31.9 mmtt -143.94 66.9 1.28 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.89 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 15.1 m-85 -82.77 74.41 9.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.889 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 63.48 87.27 0.11 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.879 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -178.36 -35.53 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.852 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -175.54 58.56 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.87 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 40.5 mtpt -79.97 159.2 26.37 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.858 179.846 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 20.5 p -52.04 153.18 2.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.838 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 12.6 t -158.47 38.94 0.24 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.175 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 18.7 ttmt 179.5 126.42 0.07 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.862 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -51.68 124.31 12.04 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.86 179.876 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ASN . . . . . 0.43 ' N ' HD22 ' A' ' 40' ' ' ASN . 1.4 m-80 59.58 70.88 0.61 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.868 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -92.4 -79.01 0.4 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.93 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 11.5 tttm 179.05 142.52 0.12 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.869 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 2.8 t -154.02 163.09 40.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.877 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -148.64 150.72 33.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.142 -179.89 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 97.5 t -150.16 119.09 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.059 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.496 ' HB2' ' HB3' ' A' ' 51' ' ' ALA . 2.9 m-20 -103.65 153.16 20.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.939 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.45 ' CG2' ' HB3' ' A' ' 1' ' ' ALA . 81.5 p -89.64 -16.35 30.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.095 -179.883 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 71.5 t80 -51.59 -55.11 21.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.904 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 46.5 p30 -149.84 39.08 0.77 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.879 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 7.3 m120 50.61 57.88 6.14 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.843 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.496 ' HB3' ' HB2' ' A' ' 46' ' ' ASP . . . -81.25 82.84 7.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.105 179.85 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 43.4 t -80.01 95.16 2.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.139 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -81.29 -172.59 3.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.909 179.885 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -166.68 143.79 4.89 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.887 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.837 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.401 ' O ' HG23 ' A' ' 47' ' ' THR . . . . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.896 0.379 . . . . 0.0 111.128 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 36.7 mtmt -79.92 171.88 14.53 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.875 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 31.7 m-85 -146.69 177.8 8.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.919 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.519 ' CG2' HG23 ' A' ' 44' ' ' THR . 0.0 OUTLIER -157.39 150.82 23.88 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.158 179.97 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -159.53 -168.97 22.26 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.484 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 10.7 mttt -146.02 145.73 30.7 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.739 0.304 . . . . 0.0 110.951 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 87.9 m -88.35 173.91 8.46 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.819 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 18.0 p -124.81 47.45 2.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.145 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 10.2 mttt 63.92 -82.69 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.925 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 91.3 p -62.92 -48.45 78.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.837 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.44 91.38 8.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.876 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 48.1 t30 -78.58 59.12 2.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.892 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 20.5 pt-20 -118.22 151.23 38.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.914 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 39.8 t -89.13 117.84 28.41 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.921 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -101.79 100.74 11.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.939 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 31.3 p90 -132.3 177.32 7.67 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.86 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 2.1 ttmt -107.98 132.79 53.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.886 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 2.1 p-10 -129.25 163.6 25.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.926 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.416 ' O ' ' HB2' ' A' ' 20' ' ' ALA . 6.9 t70 71.41 -72.08 0.12 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.797 179.813 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.416 ' HB2' ' O ' ' A' ' 19' ' ' ASP . . . 178.64 39.89 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.06 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 129.72 -1.28 5.94 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.578 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.1 mtpp -80.02 129.76 34.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.724 0.297 . . . . 0.0 110.892 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -76.28 144.74 40.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.831 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 88.5 m -136.77 129.39 30.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.134 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 45.9 m-85 -131.62 123.37 27.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.881 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.432 HG23 ' O ' ' A' ' 26' ' ' ILE . 2.8 tt -146.93 118.71 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.118 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.0 123.95 16.96 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.927 179.786 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 8.0 m -75.95 153.95 84.84 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.599 0.714 . . . . 0.0 110.926 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 95.47 0.56 Allowed 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.736 2.291 . . . . 0.0 112.388 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 26.9 mmtm -152.13 64.64 0.83 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.876 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 23.6 m-85 -90.66 102.46 15.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.936 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 51.77 75.52 0.21 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.851 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 38.3 t-20 -174.46 -36.58 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.871 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -176.27 64.86 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.897 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 2.5 mttp -79.38 170.58 16.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.858 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 11.8 t -72.25 153.79 41.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.936 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 9.0 p -154.29 41.25 0.48 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.153 -179.829 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 27.0 tttm 179.95 120.27 0.06 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.866 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -50.13 124.62 10.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.857 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 60.12 67.2 0.88 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.845 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -84.49 -78.45 0.24 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.944 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 5.3 tttt -179.44 138.49 0.14 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.858 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -148.2 157.59 43.58 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.844 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.519 HG23 ' CG2' ' A' ' 4' ' ' THR . 0.0 OUTLIER -153.64 150.18 28.34 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.113 -179.862 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.479 HG22 HG13 ' A' ' 52' ' ' VAL . 69.2 t -148.78 141.35 18.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.173 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -122.16 158.72 28.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.913 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.401 HG23 ' O ' ' A' ' 1' ' ' ALA . 19.5 p -96.02 -7.47 36.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.163 -179.892 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 62.1 t80 -51.72 -52.73 46.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.95 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 0.415 ' OD1' ' HB2' ' A' ' 51' ' ' ALA . 39.3 p-10 -150.12 39.12 0.75 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.907 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 50.83 48.09 23.49 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.912 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.415 ' HB2' ' OD1' ' A' ' 49' ' ' ASN . . . -88.84 115.45 26.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.137 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.479 HG13 HG22 ' A' ' 45' ' ' VAL . 21.7 t -104.93 103.91 16.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.09 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -79.73 169.18 18.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.943 179.88 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -134.14 163.16 30.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.837 -179.872 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.867 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.086 0 CA-C-O 120.828 0.347 . . . . 0.0 111.102 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 41.0 mttt -145.49 165.55 28.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 -146.19 152.81 39.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.945 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 14.9 t -139.6 140.1 36.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.166 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -156.89 -146.89 4.6 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.487 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 6.4 mttm -145.96 169.68 18.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.855 0.36 . . . . 0.0 110.846 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 59.6 m -119.3 154.58 33.29 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.832 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.7 t -109.59 141.37 42.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.145 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 13.4 ptmm? -60.11 -24.07 64.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.932 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 93.0 p -79.29 -18.29 52.96 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.896 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -160.53 117.54 2.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.852 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 54.5 t30 -79.58 58.27 2.67 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.892 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 21.6 pt-20 -129.07 133.25 47.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.868 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 2.1 p -58.62 147.69 31.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.861 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.53 82.02 1.98 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.881 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 7.5 p90 -121.79 -169.81 1.94 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.932 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 7.1 pttt -125.38 118.49 26.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.843 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -109.78 160.02 16.69 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.895 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 14.7 t0 72.05 -69.66 0.18 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.798 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -176.36 49.26 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.077 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 99.27 20.04 19.17 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.496 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -79.73 131.01 35.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.774 0.321 . . . . 0.0 110.907 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -67.84 122.95 19.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.886 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 98.1 m -147.99 129.8 15.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.144 -179.841 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 40.0 m-85 -137.35 127.21 25.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.87 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 2.6 tt -136.25 137.07 48.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.156 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 5.1 mtpt -69.05 134.0 48.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.862 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 14.5 m -84.18 153.73 63.04 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.56 0.695 . . . . 0.0 110.913 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 66.87 1.78 Allowed 'Trans proline' 0 C--O 1.231 0.129 0 C-N-CA 122.69 2.26 . . . . 0.0 112.317 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.3 mptp? -139.96 45.68 1.88 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.894 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 27.1 m-85 -77.55 97.25 4.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.863 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 64.68 41.46 5.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.859 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 19.8 t30 -135.58 -50.0 0.72 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.846 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 4.1 tttt -177.03 55.02 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.903 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 15.1 ptpt -79.63 173.0 13.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.865 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 26.1 t -52.4 151.94 3.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.853 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 11.9 t -139.39 39.74 2.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.184 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -179.39 173.4 1.1 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.898 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -83.06 102.98 12.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.886 179.824 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.7 m120 63.69 77.47 0.32 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.861 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 6.0 m-20 -87.08 -79.64 0.27 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.83 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 12.0 tttt -179.12 142.83 0.2 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.911 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 16.9 p -168.8 169.24 10.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.892 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -144.0 164.72 29.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.169 -179.779 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.404 HG22 HG13 ' A' ' 52' ' ' VAL . 94.6 t -150.18 143.7 17.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.154 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.595 ' HB2' ' HB3' ' A' ' 51' ' ' ALA . 2.8 m-20 -122.74 162.35 22.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.849 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -107.92 -17.72 13.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.166 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 4.9 t80 -51.54 -52.42 47.18 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.906 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 47.6 t30 -151.55 39.3 0.64 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.917 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 50.7 72.5 0.34 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.889 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.595 ' HB3' ' HB2' ' A' ' 46' ' ' ASP . . . -109.74 104.71 13.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.072 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.404 HG13 HG22 ' A' ' 45' ' ' VAL . 21.4 t -106.36 150.32 9.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.147 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -134.33 -177.04 4.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.825 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 16.3 p -148.97 165.24 32.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.923 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 20.2 t0 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.866 -179.963 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.668 ' HB3' HG21 ' A' ' 47' ' ' THR . . . . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.757 0.313 . . . . 0.0 111.138 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -155.78 170.44 22.07 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.859 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 22.1 m-85 -146.09 163.86 33.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.861 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -148.93 140.93 23.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.175 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -174.96 -157.82 17.37 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.504 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.56 165.37 27.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.76 0.314 . . . . 0.0 110.909 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 10.6 p -114.99 160.55 19.44 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.866 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 6.6 p -105.82 160.65 15.08 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.058 -179.794 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -65.99 -30.73 71.33 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.937 179.862 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 17.4 p -65.92 -20.91 66.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.871 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.1 tmtt? -174.09 127.95 0.37 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.867 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 45.7 t-20 -79.86 67.3 5.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.843 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -119.36 142.19 48.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.845 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 36.0 t -78.36 105.44 9.61 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.884 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -91.97 72.28 5.59 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.835 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 13.8 p90 -103.7 -170.11 1.73 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.922 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -135.18 127.71 30.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.864 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -114.87 166.42 11.79 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.885 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 5.9 t70 71.99 -69.42 0.19 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.916 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -178.17 61.05 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.135 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 90.68 19.54 43.89 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.444 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.83 121.63 25.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.791 0.329 . . . . 0.0 110.932 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -58.38 116.81 3.86 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.877 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 98.2 m -136.83 131.3 33.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.139 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 51.7 m-85 -131.23 129.57 41.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.411 HG23 ' O ' ' A' ' 26' ' ' ILE . 10.5 tt -140.88 122.61 14.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.138 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -56.23 140.16 45.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.897 179.869 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 17.0 m -104.53 153.37 39.2 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.706 0.765 . . . . 0.0 110.867 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 128.37 15.93 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.732 2.288 . . . . 0.0 112.325 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.39 46.21 1.05 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.914 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 28.3 m-85 -79.13 84.16 5.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.841 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 51.75 39.24 25.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.842 179.88 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 9.3 t-20 -125.3 -35.79 2.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.837 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.4 mmtt 178.25 75.49 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.853 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.2 mttm -77.45 131.02 37.77 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.958 179.784 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 14.7 p -51.15 145.85 7.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.897 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 8.7 p -154.31 39.01 0.45 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.106 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 178.08 127.42 0.05 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.874 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -48.24 126.4 11.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.852 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 59.61 72.06 0.55 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.874 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -89.7 -79.63 0.33 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.927 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 179.35 144.55 0.16 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.863 179.854 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 28.8 p -169.65 147.57 3.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.889 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -132.1 158.88 40.49 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.099 -179.806 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 93.2 t -150.24 137.74 13.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.201 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -117.54 157.33 26.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.879 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.668 HG21 ' HB3' ' A' ' 1' ' ' ALA . 26.4 p -98.95 -9.55 23.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.096 -179.849 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 70.7 t80 -51.76 -51.29 57.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.841 -179.874 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 38.2 p30 -149.41 39.03 0.8 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.905 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 50.6 59.81 4.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.846 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -91.46 140.51 29.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.107 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 16.0 t -133.41 128.62 55.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.147 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -120.81 170.25 9.65 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.823 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 20.6 p -127.34 166.12 18.43 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.891 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 9.7 t0 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.84 -179.93 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.477 ' HB3' HG21 ' A' ' 47' ' ' THR . . . . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.842 0.354 . . . . 0.0 111.099 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 37.3 mtpt -153.6 173.79 15.31 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.939 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.539 ' CE2' HG22 ' A' ' 47' ' ' THR . 27.1 m-85 -142.95 115.55 8.62 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.994 0.425 . . . . 0.0 110.932 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 15.0 t -104.02 138.18 40.93 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.095 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -163.61 -155.84 8.41 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.419 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 19.8 mtpp -138.78 -172.29 3.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.766 0.317 . . . . 0.0 110.933 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -125.67 -176.18 3.54 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.921 179.9 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 2.2 t -146.47 137.39 24.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.123 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.8 mtpm? -53.9 -30.33 45.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.906 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 12.5 p -60.01 -24.12 64.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.855 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -175.46 130.54 0.27 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.941 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 13.3 t30 -78.51 70.12 4.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.869 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 21.1 pt-20 -127.26 139.39 52.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.889 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 34.9 t -60.77 135.49 57.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.892 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 6.1 ttpp -123.11 97.13 5.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.866 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.511 ' OH ' HG21 ' A' ' 24' ' ' THR . 24.3 p90 -127.55 176.94 7.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.963 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.43 128.81 52.54 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.937 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -119.39 167.72 11.65 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.833 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 24.4 t0 71.99 -69.56 0.18 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.869 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -171.48 41.51 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.068 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 109.15 17.04 10.47 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.538 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 3.5 tmtt? -83.16 112.72 20.09 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.748 0.309 . . . . 0.0 110.952 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -54.73 123.62 13.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.828 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.511 HG21 ' OH ' ' A' ' 16' ' ' TYR . 89.9 m -132.24 145.62 51.44 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.156 -179.881 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 12.5 m-85 -140.75 160.93 38.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.828 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.493 HG23 ' O ' ' A' ' 26' ' ' ILE . 2.2 tt -169.84 39.67 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.154 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.453 ' HG2' ' O ' ' A' ' 26' ' ' ILE . 0.0 OUTLIER 56.56 172.45 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.917 179.898 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -131.63 149.87 74.7 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.636 0.731 . . . . 0.0 110.849 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.66 84.64 0.63 Allowed 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.728 2.286 . . . . 0.0 112.38 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 39.1 mmtm -153.31 60.96 0.76 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.846 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 37.0 m-85 -79.89 93.05 5.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.878 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 51.26 82.05 0.06 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.902 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 5.8 t30 179.82 -34.68 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.902 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.9 mttt -169.59 67.2 0.06 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.898 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.72 154.3 32.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.941 179.837 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 49.3 t -50.97 145.64 7.08 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.836 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 8.6 p -154.3 40.34 0.47 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.173 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 179.02 120.9 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.881 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -49.73 125.45 11.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.832 179.891 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 3.6 m120 57.3 69.22 0.76 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.909 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 6.2 m-20 -83.88 -80.74 0.18 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.896 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 1.5 ttmt -179.71 143.67 0.19 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.868 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' CYS . . . . . 0.497 ' O ' HG23 ' A' ' 44' ' ' THR . 12.2 m -151.1 176.93 10.69 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.921 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.497 HG23 ' O ' ' A' ' 43' ' ' CYS . 0.0 OUTLIER -178.38 145.88 0.35 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.128 -179.877 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 92.7 t -147.34 142.34 19.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.078 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -112.88 131.31 55.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.847 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.539 HG22 ' CE2' ' A' ' 3' ' ' TYR . 68.2 p -64.98 -15.53 62.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.115 -179.893 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 80.8 t80 -51.69 -57.2 9.88 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.904 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 52.5 p-10 -151.4 39.23 0.65 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.897 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 50.78 46.58 25.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.896 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -79.86 96.63 6.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.154 179.866 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 21.4 t -79.95 150.35 4.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.106 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -146.78 90.83 1.95 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.877 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -63.01 177.2 0.61 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.877 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 43.9 t0 . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.86 -179.984 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.585 ' HB3' HG21 ' A' ' 47' ' ' THR . . . . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.907 0.384 . . . . 0.0 111.046 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.98 169.12 22.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.904 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 12.5 m-85 -145.63 171.37 14.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.895 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -150.74 166.54 30.13 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.128 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 168.67 176.84 39.2 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.407 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.5 mttm -115.36 169.52 9.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.794 0.331 . . . . 0.0 110.91 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -101.2 -179.02 3.92 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.86 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -135.46 132.1 36.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.134 -179.866 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 21.4 mtmt -53.72 -31.86 49.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.948 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 43.6 p -81.76 -25.01 35.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.884 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.91 114.39 5.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.873 179.871 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 35.7 t30 -80.0 73.67 6.78 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.949 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 18.4 pt-20 -138.2 155.68 48.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.947 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 37.5 t -90.85 113.67 25.9 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.882 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.73 100.87 12.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.905 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 35.1 p90 -133.0 176.89 8.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.906 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 2.4 ttmt -108.57 134.14 51.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.909 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.4 ' O ' ' HB3' ' A' ' 19' ' ' ASP . 1.8 p-10 -131.27 178.16 6.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.898 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.4 ' HB3' ' O ' ' A' ' 18' ' ' ASN . 25.9 t70 64.15 -81.72 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.857 179.882 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -170.76 47.82 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.127 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 114.34 9.31 15.36 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.516 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 41.3 tttp -87.1 143.02 27.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.786 0.327 . . . . 0.0 110.866 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -87.3 143.2 27.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.87 179.814 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 97.1 m -146.44 134.88 21.96 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.13 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 55.8 m-85 -128.07 117.33 21.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.919 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.401 HG23 ' O ' ' A' ' 26' ' ' ILE . 6.1 tp -123.44 123.92 68.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.145 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 25.1 mttp -77.24 117.57 18.89 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.904 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 19.5 m -68.87 153.26 96.22 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.616 0.722 . . . . 0.0 110.938 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 68.24 1.7 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.7 2.267 . . . . 0.0 112.37 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 20.7 mmtp -144.3 54.61 1.27 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.889 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 26.3 p90 -99.78 41.06 1.18 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.894 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 174.73 -25.89 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.899 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -102.17 -17.45 15.98 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.931 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -179.58 72.71 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.931 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.41 50.41 1.1 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.892 179.879 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 8.2 t 62.12 159.25 0.06 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.852 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 12.6 t -174.81 38.91 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.137 -179.869 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.5 ttmt 176.93 118.01 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.941 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -49.49 113.01 0.73 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.89 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.4 m120 64.35 71.58 0.47 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.911 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -81.76 -79.48 0.17 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.858 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 5.5 tttt -179.43 143.6 0.2 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.888 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -153.67 171.14 19.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.896 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -158.46 150.51 21.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.16 -179.857 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 88.1 t -148.75 137.62 15.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.204 179.85 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -123.77 158.64 31.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.818 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.585 HG21 ' HB3' ' A' ' 1' ' ' ALA . 55.8 p -93.54 -9.07 39.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.094 -179.898 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 5.0 t80 -51.69 -56.63 12.57 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.938 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 6.6 t30 -151.48 39.25 0.64 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.87 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 50.91 56.53 7.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.907 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -88.36 108.56 19.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.102 179.864 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 21.9 t -102.54 113.02 37.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.104 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -106.42 178.07 4.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.843 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -142.07 176.86 8.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.918 -179.858 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 44.5 t0 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.886 179.996 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.447 ' HB3' ' OG1' ' A' ' 47' ' ' THR . . . . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.867 0.365 . . . . 0.0 111.136 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 2.9 mtpm? -79.91 160.14 26.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.889 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.632 ' O ' HG22 ' A' ' 44' ' ' THR . 51.6 m-85 -138.11 132.92 32.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.926 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -86.26 128.47 34.92 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.129 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -159.15 173.08 35.95 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.516 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.5 169.6 17.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.757 0.313 . . . . 0.0 110.944 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 6.0 p -137.64 156.38 48.11 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.937 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.673 HG23 ' H ' ' A' ' 11' ' ' LYS . 3.8 t -98.35 148.25 23.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.16 -179.877 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.37 -21.86 38.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.933 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 4.8 p -87.58 -20.21 26.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.829 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.673 ' H ' HG23 ' A' ' 8' ' ' THR . 1.3 tppt? -145.62 112.49 6.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.877 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 52.1 t30 -81.52 56.89 3.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.871 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -118.8 141.49 48.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.919 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 34.4 t -84.62 113.98 21.66 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.934 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.75 76.27 2.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.874 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 46.1 p90 -104.71 174.78 5.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.938 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -105.16 135.49 46.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.892 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.3 p-10 -134.45 164.8 26.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.844 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.407 ' O ' ' HB2' ' A' ' 20' ' ' ALA . 19.4 t0 71.5 -71.66 0.13 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.828 179.852 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.407 ' HB2' ' O ' ' A' ' 19' ' ' ASP . . . 178.92 39.87 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.087 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 128.79 -1.3 6.33 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.517 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 5.1 mmtp -79.84 120.75 24.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.79 0.329 . . . . 0.0 110.869 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 26.5 m-20 -75.63 119.28 19.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.873 179.839 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 18.4 m -105.62 133.47 50.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.176 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 46.2 m-85 -129.49 122.34 29.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.848 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.433 HG23 ' O ' ' A' ' 26' ' ' ILE . 5.2 tp -152.68 117.83 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.092 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -52.72 129.36 29.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.947 179.816 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 7.0 m -79.37 154.07 76.68 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-O 121.612 0.72 . . . . 0.0 110.854 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 85.12 0.63 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.638 2.225 . . . . 0.0 112.362 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 7.9 mmtt -148.31 72.66 1.21 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.906 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.438 ' O ' ' N ' ' A' ' 33' ' ' ASN . 40.7 m-85 -73.11 -164.57 0.18 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.842 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -49.11 90.85 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.871 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.438 ' N ' ' O ' ' A' ' 31' ' ' PHE . 0.5 OUTLIER 177.65 -51.58 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.896 -179.88 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 8.1 mmtm -153.57 60.36 0.75 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.866 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.39 164.53 24.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.947 179.81 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 23.3 p -51.29 140.73 16.36 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.852 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 17.2 p -151.27 47.08 0.83 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.133 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.83 146.66 0.74 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.887 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -71.23 119.72 15.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.891 179.846 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 60.45 57.49 2.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.856 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -61.13 -166.85 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.86 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -110.86 113.17 25.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.925 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' CYS . . . . . 0.407 ' O ' HG23 ' A' ' 44' ' ' THR . 1.2 m -128.55 172.97 10.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.839 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.632 HG22 ' O ' ' A' ' 3' ' ' TYR . 0.1 OUTLIER -164.75 165.47 20.69 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.15 -179.939 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.4 HG13 ' O ' ' A' ' 51' ' ' ALA . 66.6 t -149.79 128.75 3.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.122 179.893 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.434 ' HB2' ' HB3' ' A' ' 51' ' ' ALA . 2.1 m-20 -106.46 124.47 49.65 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.864 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.447 ' OG1' ' HB3' ' A' ' 1' ' ' ALA . 0.8 OUTLIER -73.07 -13.47 61.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.154 -179.891 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 66.3 t80 -51.95 -45.73 64.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.879 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 79.3 m-20 -146.54 38.17 1.02 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.871 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 47.58 44.78 17.42 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.929 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.434 ' HB3' ' HB2' ' A' ' 46' ' ' ASP . . . -83.62 149.69 26.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.146 179.858 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 21.1 t -133.04 107.54 11.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.154 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -80.98 153.95 27.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.908 179.899 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -136.3 137.6 40.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.876 -179.883 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 7.8 t0 . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.832 -179.94 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.874 0.368 . . . . 0.0 111.113 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.2 173.21 16.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.915 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.506 ' O ' HG22 ' A' ' 44' ' ' THR . 45.2 m-85 -129.74 165.64 21.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.912 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 15.2 t -145.82 133.76 21.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.125 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -150.97 -138.62 2.86 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.484 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 9.3 mtmm -144.21 169.75 17.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.827 0.346 . . . . 0.0 110.908 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 2.1 p -135.8 150.28 49.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.811 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -89.38 147.31 24.12 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.146 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -55.11 -74.68 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.837 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 52.6 p -58.99 -34.75 72.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.861 -179.849 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.91 93.3 4.46 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.868 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 -79.39 72.45 6.01 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.948 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -137.55 143.26 41.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.934 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 54.0 t -86.19 116.71 24.55 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.93 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -104.07 59.79 0.73 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.885 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 10.4 p90 -91.29 -172.62 3.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.95 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 17.0 mttp -126.81 126.71 43.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.879 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.3 p-10 -115.01 168.27 10.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.86 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 6.3 t0 71.71 -70.24 0.16 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.855 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -179.16 39.9 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.074 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 122.02 7.66 7.73 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.546 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.83 107.91 12.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.787 0.327 . . . . 0.0 110.938 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -56.19 129.3 39.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.903 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 99.8 m -128.49 130.97 48.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.251 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 54.5 m-85 -128.7 118.39 22.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.85 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.452 HG23 ' O ' ' A' ' 26' ' ' ILE . 9.6 tt -147.0 109.19 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.191 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.36 131.61 28.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.902 179.891 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 10.2 m -74.08 152.84 88.58 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.638 0.732 . . . . 0.0 110.889 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 64.82 1.84 Allowed 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.68 2.254 . . . . 0.0 112.39 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.8 mptp? -142.18 45.23 1.66 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.896 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 19.0 m-85 -78.75 120.65 23.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.86 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 64.49 15.03 9.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.896 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 2.9 m-80 -127.88 -36.23 2.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.895 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 10.2 ttmt -175.58 64.05 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.855 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 21.3 mtpt -77.83 59.13 2.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.936 179.805 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 19.5 t 64.2 153.64 0.05 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.831 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 24.3 p -148.76 39.02 0.85 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.191 -179.868 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 177.98 130.2 0.06 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.955 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -50.34 123.26 8.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.884 179.881 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 50.22 52.79 14.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -60.23 -169.54 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.926 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 4.8 tttt -103.3 110.98 23.17 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.924 179.856 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 15.7 p -119.73 -170.0 1.87 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.902 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.506 HG22 ' O ' ' A' ' 3' ' ' TYR . 0.0 OUTLIER -169.3 158.43 8.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.111 -179.838 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 88.0 t -150.46 102.84 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.136 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.763 ' HB3' ' HB3' ' A' ' 51' ' ' ALA . 0.0 OUTLIER -86.55 141.51 28.99 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.802 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -88.94 -21.25 23.67 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.177 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 12.2 t80 -47.65 -46.91 29.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.95 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 36.7 t30 -152.93 38.08 0.51 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.858 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 47.11 68.48 0.63 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.845 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.763 ' HB3' ' HB3' ' A' ' 46' ' ' ASP . . . -99.12 103.58 15.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.088 179.888 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 19.7 t -97.47 130.76 45.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.105 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 75.9 m-20 -130.9 167.04 19.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.898 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 16.7 p -151.91 165.33 34.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.863 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.82 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.902 0.382 . . . . 0.0 111.078 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 2.3 pttt -142.38 166.41 24.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.943 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 69.8 m-85 -120.07 145.81 46.52 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.919 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 10.1 m -112.05 124.22 51.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.181 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -145.72 -138.27 3.21 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.453 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -162.43 176.47 10.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.766 0.317 . . . . 0.0 110.897 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -118.1 -176.85 3.14 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.88 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -125.78 134.84 51.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.138 -179.891 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 14.2 ptpt -54.05 -36.98 63.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.892 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 2.8 p -97.07 21.56 9.64 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.862 -179.88 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -179.51 104.99 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.864 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 45.6 t30 -79.87 62.73 4.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.933 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 17.9 pt-20 -131.24 136.01 47.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.89 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 2.5 p -62.63 147.4 49.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.924 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 3.4 ptmm? -134.23 75.03 1.57 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.928 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 8.4 p90 -117.16 -171.29 2.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.9 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 21.0 mttt -124.05 120.41 32.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.859 179.871 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.6 p-10 -110.88 161.11 16.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.917 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 6.2 t70 71.83 -69.69 0.18 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.86 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -178.22 40.14 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.104 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 111.59 16.44 9.4 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.517 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -79.92 111.36 16.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.771 0.319 . . . . 0.0 110.896 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 32.7 m-20 -52.86 127.25 22.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.932 179.843 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 99.2 m -149.29 129.43 13.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.148 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 38.7 m-85 -135.4 124.62 24.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.931 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.41 HD12 ' N ' ' A' ' 27' ' ' LYS . 2.9 tp -137.48 128.66 39.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.112 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.41 ' N ' HD12 ' A' ' 26' ' ' ILE . 14.3 mttt -61.77 136.11 57.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.953 179.823 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 9.6 m -88.54 144.49 33.7 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.622 0.725 . . . . 0.0 110.904 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 64.84 1.81 Allowed 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.717 2.278 . . . . 0.0 112.332 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 11.5 mmtp -144.39 53.01 1.26 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.904 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 32.3 p90 -98.98 39.7 1.26 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.907 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 174.89 -26.16 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.899 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 9.5 m-20 -102.84 -16.36 15.93 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.848 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 3.2 tptt -176.01 69.83 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.93 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.673 ' O ' HG23 ' A' ' 37' ' ' THR . 0.2 OUTLIER -77.82 105.83 9.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.861 179.898 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 1.3 m -52.27 131.72 33.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.843 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.673 HG23 ' O ' ' A' ' 35' ' ' LYS . 21.0 p -138.94 39.87 2.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.116 -179.846 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.72 154.58 42.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.92 179.817 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -86.17 115.05 23.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.889 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 65.87 29.99 10.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.86 -179.887 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -51.44 -77.39 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.906 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 6.1 ttpt 179.78 148.71 0.29 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.916 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -162.88 172.46 15.1 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.876 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -159.3 155.56 27.1 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.092 -179.843 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 78.5 t -150.91 105.02 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.152 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.508 ' OD2' ' HB3' ' A' ' 51' ' ' ALA . 1.7 m-20 -88.84 121.02 30.78 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.913 179.881 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -73.3 -14.69 61.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.194 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 4.8 t80 -50.75 -48.68 59.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.927 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -151.27 38.8 0.65 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.861 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 49.5 59.78 4.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.888 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.508 ' HB3' ' OD2' ' A' ' 46' ' ' ASP . . . -104.78 105.87 16.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.073 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 12.3 t -100.47 141.75 16.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.108 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -118.8 -171.46 2.1 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.868 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -156.29 162.3 40.12 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.884 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 26.3 t0 . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.936 179.987 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.476 ' HB3' HG21 ' A' ' 47' ' ' THR . . . . . . . . 0 N--CA 1.456 -0.128 0 CA-C-O 120.867 0.365 . . . . 0.0 111.111 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -148.35 171.79 15.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.926 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.44 ' CE2' HG22 ' A' ' 47' ' ' THR . 17.4 m-85 -142.83 159.22 42.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.893 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 15.0 t -143.96 140.15 29.49 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.116 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -162.56 -163.46 15.34 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.513 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -146.7 155.78 42.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.775 0.322 . . . . 0.0 110.903 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 39.2 m -113.28 153.95 27.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.882 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.462 HG23 ' N ' ' A' ' 11' ' ' LYS . 14.6 t -100.74 164.63 11.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.08 -179.807 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 11.0 mtpt -66.8 -26.7 67.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.942 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 58.9 p -99.69 20.05 14.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.856 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.462 ' N ' HG23 ' A' ' 8' ' ' THR . 0.3 OUTLIER -179.95 113.3 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.878 179.969 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 51.8 t30 -94.47 62.31 2.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.844 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 22.4 pt-20 -128.0 142.79 51.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.846 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 17.1 t -81.0 110.07 16.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.942 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -89.44 68.59 7.89 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.92 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 32.0 p90 -103.74 177.61 4.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.987 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 9.0 mttp -121.79 139.39 53.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.943 179.86 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.8 p-10 -123.59 169.7 11.18 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.842 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 20.0 t0 72.12 -69.47 0.19 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.867 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -175.51 41.34 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.133 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 113.82 13.47 10.24 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.528 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -80.0 112.9 17.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.774 0.321 . . . . 0.0 110.88 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -51.95 130.5 29.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.934 179.817 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 96.9 m -138.93 130.33 27.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.12 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 49.4 m-85 -130.49 133.01 45.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.882 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.417 HG23 ' O ' ' A' ' 26' ' ' ILE . 12.6 tt -156.41 121.14 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.115 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.4 mmtt -58.78 129.55 42.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.938 179.799 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.406 ' SG ' HG11 ' A' ' 52' ' ' VAL . 15.7 m -81.1 151.34 69.91 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.622 0.725 . . . . 0.0 110.859 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.68 72.24 1.42 Allowed 'Trans proline' 0 C--N 1.34 0.131 0 C-N-CA 122.727 2.285 . . . . 0.0 112.357 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.27 68.9 1.33 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.902 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.455 ' O ' ' N ' ' A' ' 33' ' ' ASN . 42.3 m-85 -73.11 -164.12 0.17 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.843 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -47.05 91.25 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.87 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.455 ' N ' ' O ' ' A' ' 31' ' ' PHE . 4.9 t30 175.87 -52.55 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.856 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 3.5 ttpt -149.38 56.12 0.98 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.95 179.834 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -79.28 174.13 11.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.911 179.859 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 10.2 t -67.67 149.78 49.58 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.888 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 40.1 p -146.43 39.92 1.09 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.173 -179.849 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 179.26 122.97 0.05 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.819 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -50.89 114.3 1.13 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.847 179.89 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 62.59 75.37 0.4 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.879 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -88.31 -79.38 0.3 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.874 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 7.5 tttt -179.47 130.89 0.1 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.891 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -138.87 -179.73 6.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.847 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -172.43 149.05 2.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.125 -179.875 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.501 HG22 HG22 ' A' ' 52' ' ' VAL . 97.3 t -149.04 138.82 16.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.166 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -114.95 146.56 41.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.847 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.476 HG21 ' HB3' ' A' ' 1' ' ' ALA . 48.2 p -82.11 -13.74 56.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.13 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 5.0 t80 -51.66 -55.35 19.92 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.932 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 3.9 t30 -151.47 39.22 0.64 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.928 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 50.78 46.26 26.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.899 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -83.51 108.3 16.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.121 179.866 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.501 HG22 HG22 ' A' ' 45' ' ' VAL . 20.7 t -99.81 150.69 5.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.084 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -129.09 175.6 8.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.825 179.874 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 16.6 p -137.04 156.21 48.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.918 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 48.0 t0 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.88 -179.916 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.848 0.356 . . . . 0.0 111.115 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 27.0 mttp -115.72 167.72 10.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.92 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 90.1 m-85 -142.62 128.1 18.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.937 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 15.2 t -81.11 134.55 35.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.15 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -171.02 -170.1 34.81 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.471 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.39 169.47 21.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.758 0.313 . . . . 0.0 110.955 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 18.9 m -118.53 167.26 11.78 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.904 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 8.3 p -119.4 147.26 44.57 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.157 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.16 -25.3 58.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.901 179.858 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.0 p -102.78 17.43 23.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.831 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -179.54 96.44 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.935 179.888 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 42.5 t30 -79.92 64.57 4.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.875 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 23.0 pt-20 -137.18 134.25 36.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.891 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.417 ' SG ' HG23 ' A' ' 45' ' ' VAL . 2.1 t -72.93 96.75 2.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.88 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 3.8 mtmt -81.19 61.82 4.88 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.859 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 29.1 p90 -96.57 178.82 5.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.915 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 8.5 ptpt -122.03 139.51 53.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.878 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -126.79 168.58 14.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.825 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 6.2 t70 72.02 -69.75 0.18 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.863 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -178.47 56.62 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.103 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 93.89 20.28 31.59 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.471 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.7 156.71 27.42 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.804 0.335 . . . . 0.0 110.917 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -89.74 112.41 23.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.859 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 96.2 m -137.37 124.79 21.99 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.075 -179.833 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 36.1 m-85 -125.4 147.58 49.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.87 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.436 HG23 ' O ' ' A' ' 26' ' ' ILE . 4.7 tp -158.5 115.07 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.121 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 7.1 ttmm -64.35 112.36 3.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.857 179.808 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.541 ' HA ' HG11 ' A' ' 52' ' ' VAL . 56.5 m -51.8 152.77 4.86 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-O 121.599 0.714 . . . . 0.0 110.928 179.892 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.565 ' HD2' HG13 ' A' ' 52' ' ' VAL . 54.2 Cg_endo -69.77 75.31 1.22 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.665 2.243 . . . . 0.0 112.361 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 6.1 mmtp -144.0 68.39 1.27 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.865 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 2.8 p90 -96.54 88.32 4.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.847 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 9.5 t70 64.09 68.21 0.57 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.835 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 10.2 t30 -162.33 -49.72 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.922 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -176.88 55.47 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.879 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.61 174.86 11.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.871 179.876 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 37.7 t -51.47 149.49 4.24 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.832 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 38.9 p -136.74 39.68 2.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.163 -179.866 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -177.85 178.44 0.97 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.902 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -90.74 118.37 30.12 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.847 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 54.08 70.66 0.58 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.937 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 -79.89 -82.62 0.11 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.957 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 22.8 tttt 177.67 119.11 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.894 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 65.4 m -145.88 163.95 33.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.796 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 12.6 p -154.21 115.93 4.19 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.063 -179.865 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.548 HG22 ' HB ' ' A' ' 52' ' ' VAL . 39.1 t -87.17 141.08 14.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.134 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 63.9 t0 -117.32 110.47 18.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.839 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -68.64 -11.92 60.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.156 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 48.3 t80 -51.61 -55.19 20.69 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.91 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 34.9 p30 -150.76 39.83 0.72 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.896 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 4.9 m120 52.18 59.0 4.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.896 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -123.94 86.22 2.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.119 179.859 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.565 HG13 ' HD2' ' A' ' 29' ' ' PRO . 7.4 p -87.93 147.09 5.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.119 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -108.75 164.25 12.54 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.862 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 21.8 t -144.09 153.84 42.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.913 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.1 t70 . . . . . 0 C--N 1.328 -0.364 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.841 179.987 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.779 0.323 . . . . 0.0 111.135 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 12.6 mttt -85.29 139.78 31.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.929 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 9.1 m-30 -101.0 135.87 41.75 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.01 0.433 . . . . 0.0 110.881 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 28.3 m -79.73 95.05 5.86 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.181 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -111.48 177.67 19.07 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.489 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 16.7 mtpt -143.98 157.22 44.48 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.728 0.299 . . . . 0.0 110.906 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 5.8 p -128.26 155.17 45.0 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.877 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -97.25 147.72 23.84 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.039 -179.779 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 12.7 mtmt -53.21 -65.56 0.54 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.936 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.1 p -57.42 -47.56 81.42 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.805 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -110.97 96.7 6.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.893 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.425 ' ND2' ' HB2' ' A' ' 36' ' ' CYS . 3.7 t-20 -79.21 76.45 5.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.937 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -131.64 149.8 52.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.884 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -79.8 116.38 19.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.86 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 15.6 tttt -118.7 91.19 3.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.859 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 12.8 p90 -126.89 175.51 7.99 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.942 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 13.2 ttpt -100.97 116.03 31.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.907 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.5 p-10 -118.14 157.83 26.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.879 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 6.0 t70 71.67 -70.92 0.14 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.889 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -179.41 40.99 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.118 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 110.63 16.79 9.73 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.446 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 12.5 mmtt -79.73 108.58 13.4 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.738 0.304 . . . . 0.0 110.888 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -59.9 96.96 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.92 179.817 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 83.3 m -119.02 132.6 56.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.14 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 45.5 m-85 -122.64 144.33 49.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.821 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.42 HG23 ' O ' ' A' ' 26' ' ' ILE . 1.0 OUTLIER -156.67 120.22 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.17 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 10.4 mttt -50.37 151.94 2.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.862 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 56.2 m -114.77 157.07 44.02 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.675 0.75 . . . . 0.0 110.89 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 143.59 51.21 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.668 2.245 . . . . 0.0 112.328 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -163.61 49.91 0.14 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.898 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 3.6 p90 -79.52 62.24 3.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.86 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 66.37 64.77 0.5 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.827 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 179.88 -32.81 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.933 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -135.41 49.66 2.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.891 179.826 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 2.7 mttp -79.13 130.33 35.39 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.905 179.833 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.425 ' HB2' ' ND2' ' A' ' 12' ' ' ASN . 7.7 t -61.61 137.04 58.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.941 179.891 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 7.2 p -154.79 41.22 0.45 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.147 -179.853 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -179.82 125.5 0.08 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.848 179.902 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -50.72 122.04 6.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.825 179.871 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 61.15 62.19 1.44 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.864 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -70.48 -164.36 0.08 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.862 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 1.9 ttpt -106.74 110.01 22.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.87 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 1.3 m -107.94 -176.69 3.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.86 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -157.56 143.17 17.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.102 -179.85 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 75.8 t -147.5 106.62 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.094 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.658 ' CB ' ' HB3' ' A' ' 51' ' ' ALA . 4.5 t0 -79.97 145.24 32.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.928 179.863 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 19.0 p -90.63 -19.97 23.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.102 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 27.0 t80 -51.75 -47.75 63.97 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.901 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 34.7 p30 -155.02 39.75 0.42 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.94 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 4.7 m120 51.2 59.43 4.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.854 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.658 ' HB3' ' CB ' ' A' ' 46' ' ' ASP . . . -85.0 91.72 8.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.135 179.831 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 18.7 t -81.18 137.27 21.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.12 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -150.36 124.72 9.53 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.794 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.7 t -86.29 167.04 15.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.84 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.912 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.889 0.376 . . . . 0.0 111.085 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 34.4 mtmt -134.49 163.15 30.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.899 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 97.3 m-85 -145.4 126.4 14.56 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.994 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.419 ' HA ' HG22 ' A' ' 44' ' ' THR . 15.3 t -101.53 133.96 45.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.153 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -153.93 -130.38 1.43 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.497 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -169.33 155.92 6.6 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.757 0.313 . . . . 0.0 110.929 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 1.9 p -127.04 149.63 49.82 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.93 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 10.5 p -91.44 142.17 27.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.164 -179.863 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 16.7 ptmt -50.99 -36.88 41.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.903 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 34.6 p -75.58 -31.46 60.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.908 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.47 104.69 7.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.921 179.904 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 25.9 t30 -79.38 73.5 6.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.819 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -140.56 152.54 45.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.896 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 36.7 t -95.37 115.81 27.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.878 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.22 67.48 1.59 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.858 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 19.5 p90 -94.92 -170.13 2.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.868 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 2.9 mttt -129.85 130.11 44.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.897 179.86 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -120.78 169.88 9.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.897 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 5.5 t70 71.81 -70.13 0.17 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.908 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -178.92 63.62 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.144 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 90.74 18.87 46.22 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.463 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 10.1 tttt -79.51 179.59 7.38 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.814 0.34 . . . . 0.0 110.94 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -114.92 129.26 56.67 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.897 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 96.7 m -142.97 128.01 18.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.16 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 45.5 m-85 -127.83 120.02 26.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.861 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.461 HG23 ' O ' ' A' ' 26' ' ' ILE . 3.9 tp -135.32 109.45 10.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.083 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.03 115.77 3.37 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.866 179.878 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.524 ' HA ' HG11 ' A' ' 52' ' ' VAL . 52.3 m -52.91 152.96 6.5 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.642 0.734 . . . . 0.0 110.859 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.547 ' HD2' HG13 ' A' ' 52' ' ' VAL . 53.9 Cg_endo -69.73 79.19 0.95 Allowed 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.664 2.243 . . . . 0.0 112.356 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 11.0 mmtt -147.08 62.3 1.18 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.883 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 16.3 m-85 -87.65 98.88 11.67 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.896 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 16.6 t0 56.82 73.68 0.44 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.874 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -178.45 -48.18 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.885 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.9 mptt -156.62 59.58 0.55 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.824 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.4 125.9 30.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.835 179.878 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -53.76 138.73 34.82 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.831 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 4.4 t -135.16 60.31 1.7 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.167 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -160.72 112.88 1.94 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.96 179.87 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -49.66 128.05 17.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.897 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 62.63 38.92 11.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.906 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -60.34 -169.8 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.903 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -109.43 107.96 18.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.949 179.816 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 11.2 p -131.07 154.58 48.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.864 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.419 HG22 ' HA ' ' A' ' 4' ' ' THR . 36.9 p -147.47 118.46 7.68 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.149 -179.826 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.486 HG22 ' CG2' ' A' ' 52' ' ' VAL . 61.6 t -92.64 142.69 12.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.109 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 19.3 t0 -111.6 126.55 55.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.856 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -83.83 -10.82 57.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.107 -179.896 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -51.46 -57.16 9.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.912 -179.832 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 19.8 t30 -155.5 39.58 0.39 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.86 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.1 m120 60.28 69.65 0.68 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.898 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -132.26 83.54 2.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.138 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.547 HG13 ' HD2' ' A' ' 29' ' ' PRO . 11.2 p -89.79 145.77 7.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.161 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 78.7 m-20 -99.32 -175.62 3.06 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.951 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 14.8 p -148.09 151.59 35.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.872 -179.857 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 16.0 t70 . . . . . 0 C--N 1.328 -0.354 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.935 179.974 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.936 0.398 . . . . 0.0 111.086 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 39.1 mttt -102.01 168.96 9.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.831 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 92.1 m-85 -153.12 125.62 8.18 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.881 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 5.9 m -97.47 151.42 20.01 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.112 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -160.13 -136.29 2.0 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.467 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.444 ' HB2' ' HA ' ' A' ' 40' ' ' ASN . 0.0 OUTLIER -163.67 142.1 7.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.732 0.301 . . . . 0.0 110.886 -179.977 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 89.4 m -101.8 173.65 6.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.849 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 4.6 p -116.88 135.49 53.68 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.199 -179.846 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.25 -21.59 48.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.942 179.865 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 90.3 p -100.6 16.02 26.16 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.829 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -174.72 108.88 0.12 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.918 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 18.4 t-20 -84.5 76.13 10.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.896 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -135.38 137.16 42.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.859 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.436 ' SG ' HG13 ' A' ' 52' ' ' VAL . 0.1 OUTLIER -69.28 108.81 3.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.872 -179.944 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.41 108.54 20.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.943 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.618 ' CD1' HG21 ' A' ' 45' ' ' VAL . 17.3 p90 -136.6 173.67 11.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.925 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 9.5 mttp -110.71 122.18 47.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.861 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.3 p-10 -111.91 166.33 11.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.881 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 5.1 t70 71.98 -69.4 0.19 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.928 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -173.84 43.76 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.034 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 111.27 14.26 12.07 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.475 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.98 113.87 23.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.822 0.344 . . . . 0.0 110.821 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -51.8 148.17 6.01 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.836 179.844 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 14.1 m -149.65 135.36 18.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.201 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 17.3 m-85 -132.13 135.79 46.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.92 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.464 HG23 ' O ' ' A' ' 26' ' ' ILE . 0.9 OUTLIER -154.08 38.55 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.12 -179.951 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 54.57 179.83 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.921 179.856 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.1 m -132.57 144.32 52.48 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-O 121.655 0.74 . . . . 0.0 110.892 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 70.97 1.56 Allowed 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.681 2.254 . . . . 0.0 112.358 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 14.8 mmtt -139.05 65.53 1.44 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.907 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 26.0 m-85 -80.2 86.56 5.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.892 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 10.7 t70 51.42 86.18 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -179.33 -40.25 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.876 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 7.8 tttp -174.97 66.48 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.866 179.867 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.2 mppt? -78.92 177.71 8.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.893 179.83 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 25.1 p -51.23 155.31 1.39 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.866 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 12.1 t -160.05 39.52 0.18 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.13 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.7 tmtt? -179.74 151.12 0.43 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.896 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -75.45 105.66 6.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.96 179.797 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ASN . . . . . 0.444 ' HA ' ' HB2' ' A' ' 6' ' ' LYS . 1.2 m120 68.13 42.74 1.71 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.897 -179.838 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.2 p30 -54.75 -75.6 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.869 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 11.2 ttpt 178.09 146.95 0.14 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.913 179.875 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 3.1 p -150.58 176.56 10.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.834 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -166.2 144.23 5.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.174 -179.877 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.618 HG21 ' CD1' ' A' ' 16' ' ' TYR . 70.2 t -137.8 140.39 41.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.158 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.668 ' HB3' ' HB3' ' A' ' 51' ' ' ALA . 23.0 t0 -121.05 95.51 4.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.911 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.4 t -61.16 -16.32 43.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.19 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 91.6 t80 -51.5 -40.77 60.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.947 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 25.3 t30 -146.78 37.39 0.98 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.873 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 48.14 60.64 3.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.948 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.668 ' HB3' ' HB3' ' A' ' 46' ' ' ASP . . . -100.53 158.33 16.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.083 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.436 HG13 ' SG ' ' A' ' 14' ' ' CYS . 23.4 t -145.81 135.33 17.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.056 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -133.07 -176.12 4.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.832 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.6 t -164.96 166.89 19.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.845 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 17.8 t0 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.876 -179.987 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.806 0.336 . . . . 0.0 110.882 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 11.4 m-85 -145.42 155.56 43.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.946 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.434 HG23 HG23 ' A' ' 44' ' ' THR . 2.0 m -134.97 144.91 47.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.179 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -166.89 -154.45 8.42 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.526 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -144.19 170.96 14.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.797 0.332 . . . . 0.0 110.882 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 9.3 m -111.52 170.48 8.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.891 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -119.41 131.65 55.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.118 -179.862 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.29 -34.6 47.35 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.925 179.872 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 54.6 p -82.7 -25.77 32.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.91 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -145.0 111.73 5.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.894 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 27.0 t30 -79.92 74.0 6.68 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.861 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -135.98 151.93 50.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.886 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 25.9 t -87.69 105.1 17.14 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.843 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.69 61.28 6.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.885 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 21.5 p90 -96.56 -170.27 2.04 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.92 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -130.81 133.89 46.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.931 179.871 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -118.6 168.37 10.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.905 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 25.2 t0 72.12 -69.42 0.19 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.872 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -173.96 44.81 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.134 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 106.37 17.53 12.36 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.541 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 3.2 tmtt? -79.85 115.91 19.71 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.767 0.317 . . . . 0.0 110.901 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -51.87 124.59 12.99 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.805 179.867 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 97.2 m -137.65 133.01 33.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.201 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 54.5 m-85 -130.6 112.74 13.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.857 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 6.1 tp -128.47 123.81 60.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.166 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 12.8 mtpt -66.95 127.21 31.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.915 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 19.9 m -73.02 153.65 90.82 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.566 0.698 . . . . 0.0 110.892 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.81 82.57 0.75 Allowed 'Trans proline' 0 C--N 1.34 0.121 0 C-N-CA 122.712 2.274 . . . . 0.0 112.32 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 3.7 mmtm -145.14 67.77 1.24 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.948 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 16.5 m-85 -79.74 108.1 13.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.859 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 51.74 32.29 9.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.9 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -125.52 -37.42 2.35 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.933 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 5.2 mttt -179.4 71.2 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.879 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 13.8 mtpp -83.31 53.98 2.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.879 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 19.7 t 64.03 153.27 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.938 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 7.5 p -154.76 39.12 0.43 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.197 -179.823 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 178.33 130.74 0.07 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.891 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -51.9 120.81 5.71 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.851 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 51.75 53.49 12.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.895 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -61.2 -76.53 0.05 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.935 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 18.8 tttt -179.3 143.69 0.21 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.879 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -152.21 167.26 29.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.907 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.434 HG23 HG23 ' A' ' 4' ' ' THR . 0.0 OUTLIER -165.23 138.23 4.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.112 -179.819 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.518 HG22 HG22 ' A' ' 52' ' ' VAL . 95.8 t -131.04 144.24 38.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.062 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -125.6 138.12 53.92 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.826 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 67.6 p -73.22 -10.56 59.89 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.161 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 9.6 t80 -51.58 -58.1 7.26 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.879 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . 0.443 ' OD1' ' HB2' ' A' ' 51' ' ' ALA . 45.1 p30 -151.68 39.35 0.63 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.863 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 50.96 47.81 24.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.85 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.443 ' HB2' ' OD1' ' A' ' 49' ' ' ASN . . . -87.54 100.1 12.53 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.085 179.856 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.518 HG22 HG22 ' A' ' 45' ' ' VAL . 21.4 t -96.94 112.88 29.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.151 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 22.1 m-20 -84.53 179.95 7.28 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.973 179.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 16.6 p -150.18 146.65 26.99 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.872 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 22.0 t0 . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.912 179.95 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 47.9 mtmt . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.76 0.314 . . . . 0.0 110.87 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 15.7 m-85 -145.59 146.53 31.41 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.902 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 25.9 p -133.16 143.43 49.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.149 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -170.92 -150.13 6.85 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.444 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -148.76 166.49 28.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.785 0.326 . . . . 0.0 110.916 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 82.4 m -115.75 158.53 22.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.897 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.416 HG23 ' H ' ' A' ' 11' ' ' LYS . 2.0 t -108.29 142.59 38.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.178 -179.869 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 10.9 ptmm? -55.86 -26.12 45.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.954 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.2 p -74.63 -25.27 59.12 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.858 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.416 ' H ' HG23 ' A' ' 8' ' ' THR . 0.1 OUTLIER -155.69 117.3 3.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.928 179.948 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 49.2 t30 -79.9 66.02 5.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.904 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 17.1 pt-20 -132.53 150.06 52.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.844 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 38.3 t -78.61 113.41 16.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.948 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 15.0 ptpt -100.72 66.49 1.21 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.88 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 14.9 p90 -101.78 178.7 4.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.944 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 17.4 mttt -107.15 102.08 11.44 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.913 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -92.65 144.33 25.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.947 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 26.0 t0 72.17 -69.32 0.19 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.781 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -170.21 52.1 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.1 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 83.22 28.37 37.06 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.489 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.39 127.82 32.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.851 0.358 . . . . 0.0 110.851 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -51.97 108.59 0.29 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.829 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 94.9 m -148.48 127.87 13.07 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.132 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 36.3 m-85 -137.27 127.04 25.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.962 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 17.2 tt -133.11 133.54 58.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.143 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.3 mppt? -65.83 133.23 50.53 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.916 179.828 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 60.2 m -78.11 153.58 79.86 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.629 0.728 . . . . 0.0 110.849 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 86.24 0.59 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.696 2.264 . . . . 0.0 112.301 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 68.9 mmtt -143.73 67.06 1.28 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.879 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 13.4 m-85 -79.88 74.24 6.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.901 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 8.9 t0 63.51 86.1 0.12 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.914 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -177.0 -35.93 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.903 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 7.5 tptm -175.7 57.99 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.901 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -79.93 158.34 26.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.851 179.867 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 40.7 t -52.25 148.77 6.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.875 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 10.4 p -148.87 39.84 0.87 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.128 -179.804 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -179.96 161.08 0.92 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.903 179.873 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -71.22 111.69 6.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.829 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 61.77 75.01 0.42 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.937 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -84.42 -78.64 0.23 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.923 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -179.34 143.98 0.21 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.923 179.872 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 19.1 p -169.45 153.64 5.3 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.836 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -138.35 162.3 34.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.116 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.491 HG22 HG22 ' A' ' 52' ' ' VAL . 86.5 t -150.4 143.69 17.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.117 179.858 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -122.59 148.75 44.86 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.874 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 71.1 p -83.9 -16.08 45.65 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.125 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 5.0 t80 -51.63 -56.24 14.72 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.972 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 28.0 t30 -151.6 39.22 0.63 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.832 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 6.8 m120 51.02 50.36 19.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.836 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -80.11 80.39 6.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.108 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.491 HG22 HG22 ' A' ' 45' ' ' VAL . 44.9 t -81.14 133.1 30.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.125 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 28.8 m-20 -115.79 -173.27 2.31 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.902 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -151.6 166.9 29.8 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.892 -179.905 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 65.4 t0 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.884 -179.969 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 6.0 mtmt . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.818 0.342 . . . . 0.0 110.873 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 14.5 m-85 -145.49 160.13 42.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.86 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 3.0 m -148.32 153.52 38.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.15 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 179.22 -145.5 6.68 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.453 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.0 175.79 9.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.704 0.288 . . . . 0.0 110.925 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -106.89 -172.54 2.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.852 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -135.17 131.38 36.71 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.062 -179.851 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.27 -27.2 54.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.875 179.872 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -86.26 -19.4 29.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.824 -179.902 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.1 ttmt -156.38 119.1 4.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.914 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 46.3 t30 -79.64 61.88 3.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.875 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 21.3 pt-20 -122.33 147.86 45.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.841 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 36.5 t -79.14 106.77 11.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.834 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -95.38 79.53 3.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.886 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 14.0 p90 -111.43 -170.51 1.66 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.888 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.26 127.07 40.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.888 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -115.3 168.35 10.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.877 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 10.0 t0 72.09 -69.43 0.19 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.869 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -175.28 42.35 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.044 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 112.13 13.99 11.48 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.505 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.96 113.61 18.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.835 0.35 . . . . 0.0 110.922 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -52.9 131.49 35.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.872 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 97.4 m -140.56 131.81 26.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.199 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 53.1 m-85 -128.24 130.57 48.13 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.926 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.402 ' O ' HG23 ' A' ' 26' ' ' ILE . 6.1 tp -152.04 124.26 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.1 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 8.7 tttm -54.09 135.73 42.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.919 179.826 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 16.6 m -94.2 153.18 40.68 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.65 0.738 . . . . 0.0 110.856 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 80.43 0.87 Allowed 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.7 2.267 . . . . 0.0 112.333 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 23.1 mmtm -148.4 64.84 1.08 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.941 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 10.2 p90 -104.9 115.58 30.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.875 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 53.9 66.55 1.2 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.841 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -179.85 -34.73 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.94 -179.902 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.59 60.27 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.851 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -78.92 149.21 32.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.961 179.812 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 17.2 p -51.66 153.71 2.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.891 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 8.6 p -154.11 39.76 0.47 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.142 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 179.64 155.03 0.53 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.932 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -72.41 114.96 11.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.848 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 61.89 74.34 0.44 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.872 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 -84.49 -78.97 0.23 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.912 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 11.8 tttt -178.71 143.27 0.24 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.883 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 17.8 p -165.4 158.56 16.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.818 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -145.35 159.18 43.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.152 -179.841 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.412 HG22 HG13 ' A' ' 52' ' ' VAL . 84.6 t -150.33 143.16 17.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.119 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -126.49 143.57 51.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.846 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 59.9 p -76.84 -10.31 59.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.171 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 74.4 t80 -51.64 -58.27 6.82 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.91 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 53.2 p-10 -150.52 39.13 0.72 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.948 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 51.02 46.21 26.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -80.6 84.39 6.19 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.055 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.412 HG13 HG22 ' A' ' 45' ' ' VAL . 31.2 t -83.58 122.84 38.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.126 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 54.4 m-20 -110.25 -173.52 2.27 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.91 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -155.57 178.67 9.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.863 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 25.1 t0 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.852 -179.945 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.807 0.336 . . . . 0.0 110.962 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 37.2 m-85 -142.58 135.63 28.41 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.929 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 14.2 m -93.07 124.73 37.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.176 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -157.55 153.53 24.73 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.446 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.6 170.29 8.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.763 0.315 . . . . 0.0 110.899 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 68.4 m -136.97 156.22 48.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.91 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 2.7 t -104.8 145.61 30.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.152 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.84 -25.16 60.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.921 179.871 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 4.7 p -95.69 17.32 15.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.852 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -179.67 105.29 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.876 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 38.1 t30 -85.98 75.93 9.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.855 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -140.34 136.99 33.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.835 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 4.4 t -75.96 105.08 6.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.866 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.66 52.02 2.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.915 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 28.8 p90 -85.19 179.07 7.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.927 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 5.5 ptpp? -126.38 135.31 51.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.875 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -120.04 176.33 5.48 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.893 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 23.4 t0 71.97 -69.52 0.18 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -177.12 39.92 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.168 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 113.63 14.13 9.83 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.459 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 3.7 mmtt -81.94 116.11 21.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.791 0.329 . . . . 0.0 110.943 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -51.76 127.65 21.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.871 179.862 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 98.1 m -136.94 133.35 35.56 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.149 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 54.6 m-85 -128.26 151.31 49.43 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.887 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.409 ' O ' HG23 ' A' ' 26' ' ' ILE . 5.9 tp -173.91 122.46 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.01 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.63 115.6 4.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.862 179.88 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.424 ' SG ' HG11 ' A' ' 52' ' ' VAL . 19.7 m -69.19 153.47 95.95 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.637 0.732 . . . . 0.0 110.871 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.77 78.92 0.98 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.677 2.251 . . . . 0.0 112.395 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 16.5 mmtt -144.08 68.05 1.27 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.94 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 5.2 p90 -102.27 110.97 23.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.887 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 52.39 69.04 0.73 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.896 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 8.9 t-20 -178.43 -47.37 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.885 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.24 58.08 0.46 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.91 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.55 ' O ' HG23 ' A' ' 37' ' ' THR . 0.1 OUTLIER -79.43 153.42 29.69 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.873 179.877 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 36.3 t -52.06 136.51 29.25 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.843 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.55 HG23 ' O ' ' A' ' 35' ' ' LYS . 43.4 p -138.04 45.96 2.09 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.112 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -176.33 158.44 1.86 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.88 179.851 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -77.9 119.48 21.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.871 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 59.41 55.96 3.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.9 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -60.81 -167.23 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.898 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 4.7 ttpt -113.39 113.62 25.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.813 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . 0.472 ' O ' HG23 ' A' ' 44' ' ' THR . 0.1 OUTLIER -116.93 -169.95 1.74 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.856 179.916 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.472 HG23 ' O ' ' A' ' 43' ' ' CYS . 0.0 OUTLIER -177.29 156.58 1.24 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.105 -179.794 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.446 HG22 HG22 ' A' ' 52' ' ' VAL . 87.8 t -150.25 143.97 17.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.111 179.868 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.746 ' HB2' ' HB3' ' A' ' 51' ' ' ALA . 0.8 OUTLIER -116.47 130.03 56.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.85 179.958 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -73.69 -18.77 60.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.151 -179.887 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 9.2 t80 -51.69 -54.39 28.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.878 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 12.4 p-10 -151.28 39.11 0.66 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.913 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 50.77 54.33 11.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.871 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.746 ' HB3' ' HB2' ' A' ' 46' ' ' ASP . . . -90.64 89.16 7.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.116 179.833 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.446 HG22 HG22 ' A' ' 45' ' ' VAL . 21.6 t -82.66 141.29 15.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.092 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -127.87 137.24 52.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.902 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 15.7 p -96.84 156.53 16.31 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.963 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 37.2 t70 . . . . . 0 C--N 1.327 -0.376 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.897 -179.96 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 19.6 mtpt . . . . . 0 C--O 1.232 0.163 0 CA-C-O 120.743 0.306 . . . . 0.0 110.95 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 51.8 m-85 -149.11 147.58 28.66 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.035 0.445 . . . . 0.0 110.865 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.5 p -102.37 144.77 30.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.113 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -175.32 135.68 3.12 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.447 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.74 173.71 6.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.7 0.286 . . . . 0.0 110.877 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 59.7 m -126.72 154.86 43.59 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.899 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 6.4 p -108.36 145.1 35.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.191 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 6.8 mtmt -57.21 -25.99 59.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.952 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 53.5 p -100.19 17.85 20.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.848 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.0 mttp -179.37 108.67 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.832 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 27.5 t30 -89.33 76.09 7.62 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.891 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 22.6 pt-20 -139.58 153.94 47.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.827 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 3.4 t -87.79 102.43 14.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.892 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -88.68 64.6 7.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.892 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 32.8 p90 -96.62 177.82 5.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.921 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 21.2 mtmt -119.26 141.22 49.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.928 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -126.18 169.22 13.05 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.893 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 13.1 t70 72.21 -69.44 0.19 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.859 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -173.85 40.88 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.154 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 111.96 15.23 10.18 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.515 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -80.04 113.82 18.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.811 0.339 . . . . 0.0 110.85 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -51.87 128.9 25.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.942 179.828 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 97.1 m -138.28 132.09 31.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.112 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 54.4 m-85 -127.68 136.34 51.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.934 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.409 ' O ' HG23 ' A' ' 26' ' ' ILE . 6.1 tp -157.34 123.06 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.111 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 12.2 pttt -58.46 132.65 54.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.843 179.839 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 20.1 m -87.43 153.24 53.26 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.624 0.726 . . . . 0.0 110.87 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 76.68 1.13 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.7 2.266 . . . . 0.0 112.348 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.5 mmtt -151.11 46.53 0.83 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.893 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 49.4 p90 -80.41 129.66 34.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.877 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 26.7 m-20 51.48 61.99 2.94 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.828 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 -179.38 -34.75 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.941 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -174.81 56.23 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.87 179.867 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 12.5 mtpt -79.88 56.98 2.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.867 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 36.5 t 64.54 145.02 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.885 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 6.9 p -154.83 37.62 0.41 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.13 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -177.96 131.75 0.15 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.887 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -51.79 120.57 5.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.879 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 62.38 75.66 0.39 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.855 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -79.06 -166.13 0.87 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.834 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 6.0 tttp -117.94 114.85 23.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.911 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . 0.451 ' O ' HG23 ' A' ' 44' ' ' THR . 0.0 OUTLIER -128.44 -172.0 2.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.877 -179.958 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.451 HG23 ' O ' ' A' ' 43' ' ' CYS . 0.0 OUTLIER -174.29 160.79 3.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.177 -179.878 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 96.8 t -147.18 144.03 19.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.116 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.457 ' HB2' ' HB3' ' A' ' 51' ' ' ALA . 0.1 OUTLIER -118.69 143.6 46.75 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.86 179.858 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -83.3 -16.61 45.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.137 -179.901 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 61.8 t80 -51.67 -56.93 10.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.939 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 45.2 p-10 -150.38 39.01 0.72 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.899 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 50.93 56.14 8.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.847 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.457 ' HB3' ' HB2' ' A' ' 46' ' ' ASP . . . -82.11 91.33 6.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.161 179.85 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 94.0 t -80.06 108.4 13.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.091 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -85.95 -172.42 4.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.873 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 16.7 p -154.31 157.75 39.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.877 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 11.1 t70 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.892 -179.928 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.703 0.287 . . . . 0.0 110.916 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.59 ' CE2' HG22 ' A' ' 47' ' ' THR . 16.5 m-85 -129.95 142.22 50.67 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.942 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.579 HG23 HG23 ' A' ' 44' ' ' THR . 4.0 m -127.74 158.1 38.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.109 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 179.75 -144.95 6.27 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.5 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 10.1 mtpt -145.79 -175.26 4.67 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.824 0.345 . . . . 0.0 110.853 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 60.4 m -144.53 162.23 37.1 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.835 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 16.2 p -112.43 135.12 53.52 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.183 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.65 -30.4 67.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.934 179.88 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 83.4 p -80.42 -24.65 39.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.826 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.58 107.13 5.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.927 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 27.4 t30 -79.92 74.83 6.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.877 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -136.52 134.98 38.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.891 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.419 ' SG ' HG13 ' A' ' 52' ' ' VAL . 0.1 OUTLIER -70.75 103.85 2.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.884 -179.929 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -95.36 55.16 1.7 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.87 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.401 ' OH ' HG21 ' A' ' 24' ' ' THR . 37.3 p90 -79.77 -179.92 7.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.964 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -122.04 138.64 54.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.888 179.891 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -125.01 171.82 9.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.905 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 6.0 t70 72.1 -69.49 0.19 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.983 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -178.36 40.02 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.08 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 117.7 11.23 8.7 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.832 -0.699 . . . . 0.0 112.509 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -85.07 121.44 27.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.79 0.329 . . . . 0.0 110.9 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -51.61 142.91 13.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.866 179.853 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.401 HG21 ' OH ' ' A' ' 16' ' ' TYR . 3.6 m -147.08 132.04 18.15 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.139 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 13.4 m-85 -133.24 147.61 51.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.857 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.485 ' O ' HG23 ' A' ' 26' ' ' ILE . 6.1 tt -168.97 37.82 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.172 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 8.8 mttt 55.08 178.18 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.905 179.832 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -129.91 147.83 67.1 Favored Pre-proline 0 C--N 1.327 -0.382 0 CA-C-O 121.651 0.739 . . . . 0.0 110.815 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 71.43 1.51 Allowed 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.688 2.259 . . . . 0.0 112.401 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 15.0 mmtt -140.24 66.16 1.4 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.89 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 27.0 m-85 -79.44 86.33 5.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.845 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 51.52 85.55 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.87 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 6.6 t30 -179.88 -34.95 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.916 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 2.3 tptt -175.27 67.78 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.935 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.561 ' O ' HG23 ' A' ' 37' ' ' THR . 27.2 mttt -78.44 165.81 23.35 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.928 179.837 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 3.0 t -51.0 126.53 16.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.855 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.561 HG23 ' O ' ' A' ' 35' ' ' LYS . 73.0 p -131.18 39.87 3.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.173 -179.859 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 3.5 tttp -170.22 145.75 2.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.837 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -70.57 120.65 16.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.878 179.82 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 59.21 54.37 4.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.864 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -60.86 -168.38 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.858 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 9.4 ttpt -111.81 114.54 27.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.964 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . 0.493 ' O ' HG23 ' A' ' 44' ' ' THR . 14.2 p -122.44 179.85 4.44 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.894 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.579 HG23 HG23 ' A' ' 4' ' ' THR . 0.0 OUTLIER -178.64 130.57 0.12 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.157 -179.89 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.54 HG22 HG22 ' A' ' 52' ' ' VAL . 98.0 t -122.37 143.21 35.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.168 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 16.5 t0 -111.29 139.47 46.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.886 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.59 HG22 ' CE2' ' A' ' 3' ' ' TYR . 18.1 p -77.22 -11.99 59.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.102 -179.87 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 11.4 t80 -51.3 -54.67 23.9 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.928 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -152.28 39.47 0.58 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.843 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 51.03 43.63 28.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.894 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -84.21 96.97 9.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.095 179.819 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.54 HG22 HG22 ' A' ' 45' ' ' VAL . 84.5 t -79.93 144.1 11.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.167 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -138.64 106.1 5.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.859 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.4 t -93.24 167.48 11.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.871 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.9 t0 . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.858 -179.957 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.85 0.357 . . . . 0.0 110.84 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 53.5 m-85 -150.04 133.25 16.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.921 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -99.9 124.22 44.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.221 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -137.86 -150.2 5.65 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.417 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -166.73 152.76 8.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.687 0.28 . . . . 0.0 110.881 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 68.8 m -111.7 156.9 21.16 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.87 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 7.0 p -107.93 140.79 40.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.107 -179.85 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.4 ptpt -57.08 -21.86 34.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.858 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 40.5 p -79.33 -22.41 44.57 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.91 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -160.35 123.21 3.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.892 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 36.1 t30 -79.48 73.73 6.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.884 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.1 pp20? -136.32 162.66 32.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.858 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 37.4 t -103.03 104.65 14.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.911 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 5.9 ptpt -94.79 56.77 2.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.91 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 17.4 p90 -86.24 -173.14 4.41 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.876 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.92 130.62 45.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.865 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -118.33 173.27 6.91 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.847 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 13.1 t0 72.15 -69.5 0.19 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.891 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -175.75 39.99 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.074 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 113.89 14.48 9.31 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.437 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.57 109.19 15.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.787 0.327 . . . . 0.0 110.869 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -54.0 122.85 10.99 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.853 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 98.8 m -129.06 134.4 48.09 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.116 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 50.8 m-85 -122.98 136.76 54.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.894 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.402 HG23 ' O ' ' A' ' 26' ' ' ILE . 6.0 tp -160.44 122.81 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.064 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.07 129.93 44.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.906 179.846 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 20.0 m -81.27 153.34 71.56 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.588 0.708 . . . . 0.0 110.871 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 86.63 0.57 Allowed 'Trans proline' 0 N--CA 1.464 -0.222 0 C-N-CA 122.726 2.284 . . . . 0.0 112.386 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 31.9 mmtt -143.94 66.9 1.28 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.89 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 15.1 m-85 -82.77 74.41 9.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.889 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 63.48 87.27 0.11 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.879 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -178.36 -35.53 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.852 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -175.54 58.56 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.87 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 40.5 mtpt -79.97 159.2 26.37 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.858 179.846 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 20.5 p -52.04 153.18 2.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.838 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 12.6 t -158.47 38.94 0.24 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.175 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 18.7 ttmt 179.5 126.42 0.07 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.862 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -51.68 124.31 12.04 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.86 179.876 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . 0.43 ' N ' HD22 ' A' ' 40' ' ' ASN . 1.4 m-80 59.58 70.88 0.61 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.868 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -92.4 -79.01 0.4 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.93 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 11.5 tttm 179.05 142.52 0.12 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.869 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 2.8 t -154.02 163.09 40.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.877 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -148.64 150.72 33.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.142 -179.89 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 97.5 t -150.16 119.09 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.059 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.496 ' HB2' ' HB3' ' A' ' 51' ' ' ALA . 2.9 m-20 -103.65 153.16 20.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.939 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 81.5 p -89.64 -16.35 30.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.095 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 71.5 t80 -51.59 -55.11 21.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.904 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 46.5 p30 -149.84 39.08 0.77 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.879 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 7.3 m120 50.61 57.88 6.14 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.843 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.496 ' HB3' ' HB2' ' A' ' 46' ' ' ASP . . . -81.25 82.84 7.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.105 179.85 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 43.4 t -80.01 95.16 2.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.139 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -81.29 -172.59 3.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.909 179.885 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -166.68 143.79 4.89 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.887 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.837 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 36.7 mtmt . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.819 0.343 . . . . 0.0 110.875 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 31.7 m-85 -146.69 177.8 8.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.919 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.519 ' CG2' HG23 ' A' ' 44' ' ' THR . 0.0 OUTLIER -157.39 150.82 23.88 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.158 179.97 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -159.53 -168.97 22.26 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.484 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 10.7 mttt -146.02 145.73 30.7 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.739 0.304 . . . . 0.0 110.951 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 87.9 m -88.35 173.91 8.46 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.819 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 18.0 p -124.81 47.45 2.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.145 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 10.2 mttt 63.92 -82.69 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.925 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 91.3 p -62.92 -48.45 78.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.837 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.44 91.38 8.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.876 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 48.1 t30 -78.58 59.12 2.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.892 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 20.5 pt-20 -118.22 151.23 38.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.914 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 39.8 t -89.13 117.84 28.41 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.921 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -101.79 100.74 11.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.939 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 31.3 p90 -132.3 177.32 7.67 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.86 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 2.1 ttmt -107.98 132.79 53.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.886 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -129.25 163.6 25.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.926 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.416 ' O ' ' HB2' ' A' ' 20' ' ' ALA . 6.9 t70 71.41 -72.08 0.12 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.797 179.813 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.416 ' HB2' ' O ' ' A' ' 19' ' ' ASP . . . 178.64 39.89 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.06 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 129.72 -1.28 5.94 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.578 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.1 mtpp -80.02 129.76 34.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.724 0.297 . . . . 0.0 110.892 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -76.28 144.74 40.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.831 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 88.5 m -136.77 129.39 30.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.134 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 45.9 m-85 -131.62 123.37 27.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.881 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.432 ' O ' HG23 ' A' ' 26' ' ' ILE . 2.8 tt -146.93 118.71 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.118 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.0 123.95 16.96 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.927 179.786 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 8.0 m -75.95 153.95 84.84 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.599 0.714 . . . . 0.0 110.926 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 95.47 0.56 Allowed 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.736 2.291 . . . . 0.0 112.388 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 26.9 mmtm -152.13 64.64 0.83 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.876 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 23.6 m-85 -90.66 102.46 15.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.936 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 51.77 75.52 0.21 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.851 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 38.3 t-20 -174.46 -36.58 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.871 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -176.27 64.86 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.897 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 2.5 mttp -79.38 170.58 16.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.858 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 11.8 t -72.25 153.79 41.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.936 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 9.0 p -154.29 41.25 0.48 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.153 -179.829 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 27.0 tttm 179.95 120.27 0.06 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.866 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -50.13 124.62 10.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.857 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 60.12 67.2 0.88 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.845 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -84.49 -78.45 0.24 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.944 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 5.3 tttt -179.44 138.49 0.14 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.858 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -148.2 157.59 43.58 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.844 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.519 HG23 ' CG2' ' A' ' 4' ' ' THR . 0.0 OUTLIER -153.64 150.18 28.34 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.113 -179.862 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.479 HG22 HG13 ' A' ' 52' ' ' VAL . 69.2 t -148.78 141.35 18.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.173 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -122.16 158.72 28.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.913 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 19.5 p -96.02 -7.47 36.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.163 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 62.1 t80 -51.72 -52.73 46.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.95 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . 0.415 ' OD1' ' HB2' ' A' ' 51' ' ' ALA . 39.3 p-10 -150.12 39.12 0.75 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.907 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 50.83 48.09 23.49 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.912 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.415 ' HB2' ' OD1' ' A' ' 49' ' ' ASN . . . -88.84 115.45 26.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.137 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.479 HG13 HG22 ' A' ' 45' ' ' VAL . 21.7 t -104.93 103.91 16.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.09 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -79.73 169.18 18.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.943 179.88 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -134.14 163.16 30.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.837 -179.872 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.867 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 41.0 mttt . . . . . 0 C--O 1.23 0.046 0 CA-C-O 120.813 0.339 . . . . 0.0 110.89 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 -146.19 152.81 39.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.945 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 14.9 t -139.6 140.1 36.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.166 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -156.89 -146.89 4.6 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.487 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 6.4 mttm -145.96 169.68 18.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.855 0.36 . . . . 0.0 110.846 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 59.6 m -119.3 154.58 33.29 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.832 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.7 t -109.59 141.37 42.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.145 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 13.4 ptmm? -60.11 -24.07 64.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.932 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 93.0 p -79.29 -18.29 52.96 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.896 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -160.53 117.54 2.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.852 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 54.5 t30 -79.58 58.27 2.67 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.892 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 21.6 pt-20 -129.07 133.25 47.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.868 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 2.1 p -58.62 147.69 31.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.861 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.53 82.02 1.98 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.881 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 7.5 p90 -121.79 -169.81 1.94 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.932 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 7.1 pttt -125.38 118.49 26.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.843 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -109.78 160.02 16.69 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.895 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 14.7 t0 72.05 -69.66 0.18 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.798 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -176.36 49.26 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.077 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 99.27 20.04 19.17 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.496 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -79.73 131.01 35.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.774 0.321 . . . . 0.0 110.907 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -67.84 122.95 19.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.886 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 98.1 m -147.99 129.8 15.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.144 -179.841 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 40.0 m-85 -137.35 127.21 25.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.87 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 2.6 tt -136.25 137.07 48.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.156 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 5.1 mtpt -69.05 134.0 48.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.862 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 14.5 m -84.18 153.73 63.04 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.56 0.695 . . . . 0.0 110.913 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 66.87 1.78 Allowed 'Trans proline' 0 C--O 1.231 0.129 0 C-N-CA 122.69 2.26 . . . . 0.0 112.317 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.3 mptp? -139.96 45.68 1.88 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.894 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 27.1 m-85 -77.55 97.25 4.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.863 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 64.68 41.46 5.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.859 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 19.8 t30 -135.58 -50.0 0.72 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.846 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 4.1 tttt -177.03 55.02 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.903 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 15.1 ptpt -79.63 173.0 13.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.865 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 26.1 t -52.4 151.94 3.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.853 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 11.9 t -139.39 39.74 2.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.184 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -179.39 173.4 1.1 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.898 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -83.06 102.98 12.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.886 179.824 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.7 m120 63.69 77.47 0.32 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.861 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 6.0 m-20 -87.08 -79.64 0.27 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.83 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 12.0 tttt -179.12 142.83 0.2 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.911 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 16.9 p -168.8 169.24 10.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.892 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -144.0 164.72 29.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.169 -179.779 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.404 HG22 HG13 ' A' ' 52' ' ' VAL . 94.6 t -150.18 143.7 17.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.154 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.595 ' HB2' ' HB3' ' A' ' 51' ' ' ALA . 2.8 m-20 -122.74 162.35 22.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.849 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -107.92 -17.72 13.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.166 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 4.9 t80 -51.54 -52.42 47.18 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.906 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 47.6 t30 -151.55 39.3 0.64 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.917 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 50.7 72.5 0.34 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.889 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.595 ' HB3' ' HB2' ' A' ' 46' ' ' ASP . . . -109.74 104.71 13.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.072 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.404 HG13 HG22 ' A' ' 45' ' ' VAL . 21.4 t -106.36 150.32 9.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.147 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -134.33 -177.04 4.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.825 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 16.3 p -148.97 165.24 32.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.923 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 20.2 t0 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.866 -179.963 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.458 -0.051 0 CA-C-O 120.801 0.334 . . . . 0.0 110.859 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 22.1 m-85 -146.09 163.86 33.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.861 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -148.93 140.93 23.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.175 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -174.96 -157.82 17.37 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.504 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.56 165.37 27.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.76 0.314 . . . . 0.0 110.909 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 10.6 p -114.99 160.55 19.44 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.866 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 6.6 p -105.82 160.65 15.08 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.058 -179.794 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -65.99 -30.73 71.33 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.937 179.862 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 17.4 p -65.92 -20.91 66.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.871 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.1 tmtt? -174.09 127.95 0.37 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.867 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 45.7 t-20 -79.86 67.3 5.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.843 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -119.36 142.19 48.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.845 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 36.0 t -78.36 105.44 9.61 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.884 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -91.97 72.28 5.59 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.835 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 13.8 p90 -103.7 -170.11 1.73 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.922 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -135.18 127.71 30.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.864 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -114.87 166.42 11.79 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.885 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 5.9 t70 71.99 -69.42 0.19 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.916 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -178.17 61.05 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.135 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 90.68 19.54 43.89 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.444 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.83 121.63 25.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.791 0.329 . . . . 0.0 110.932 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -58.38 116.81 3.86 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.877 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 98.2 m -136.83 131.3 33.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.139 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 51.7 m-85 -131.23 129.57 41.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.411 HG23 ' O ' ' A' ' 26' ' ' ILE . 10.5 tt -140.88 122.61 14.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.138 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -56.23 140.16 45.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.897 179.869 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 17.0 m -104.53 153.37 39.2 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.706 0.765 . . . . 0.0 110.867 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 128.37 15.93 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.732 2.288 . . . . 0.0 112.325 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.39 46.21 1.05 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.914 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 28.3 m-85 -79.13 84.16 5.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.841 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 51.75 39.24 25.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.842 179.88 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 9.3 t-20 -125.3 -35.79 2.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.837 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.4 mmtt 178.25 75.49 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.853 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.2 mttm -77.45 131.02 37.77 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.958 179.784 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 14.7 p -51.15 145.85 7.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.897 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 8.7 p -154.31 39.01 0.45 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.106 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 178.08 127.42 0.05 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.874 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -48.24 126.4 11.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.852 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 59.61 72.06 0.55 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.874 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -89.7 -79.63 0.33 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.927 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 179.35 144.55 0.16 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.863 179.854 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 28.8 p -169.65 147.57 3.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.889 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -132.1 158.88 40.49 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.099 -179.806 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 93.2 t -150.24 137.74 13.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.201 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -117.54 157.33 26.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.879 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 26.4 p -98.95 -9.55 23.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.096 -179.849 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 70.7 t80 -51.76 -51.29 57.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.841 -179.874 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 38.2 p30 -149.41 39.03 0.8 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.905 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 50.6 59.81 4.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.846 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -91.46 140.51 29.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.107 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 16.0 t -133.41 128.62 55.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.147 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -120.81 170.25 9.65 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.823 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 20.6 p -127.34 166.12 18.43 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.891 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 9.7 t0 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.84 -179.93 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 37.3 mtpt . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.785 0.326 . . . . 0.0 110.939 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.539 ' CE2' HG22 ' A' ' 47' ' ' THR . 27.1 m-85 -142.95 115.55 8.62 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.994 0.425 . . . . 0.0 110.932 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 15.0 t -104.02 138.18 40.93 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.095 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -163.61 -155.84 8.41 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.419 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 19.8 mtpp -138.78 -172.29 3.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.766 0.317 . . . . 0.0 110.933 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -125.67 -176.18 3.54 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.921 179.9 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 2.2 t -146.47 137.39 24.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.123 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.8 mtpm? -53.9 -30.33 45.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.906 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 12.5 p -60.01 -24.12 64.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.855 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -175.46 130.54 0.27 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.941 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 13.3 t30 -78.51 70.12 4.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.869 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 21.1 pt-20 -127.26 139.39 52.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.889 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 34.9 t -60.77 135.49 57.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.892 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 6.1 ttpp -123.11 97.13 5.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.866 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.511 ' OH ' HG21 ' A' ' 24' ' ' THR . 24.3 p90 -127.55 176.94 7.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.963 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.43 128.81 52.54 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.937 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -119.39 167.72 11.65 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.833 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 24.4 t0 71.99 -69.56 0.18 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.869 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -171.48 41.51 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.068 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 109.15 17.04 10.47 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.538 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 3.5 tmtt? -83.16 112.72 20.09 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.748 0.309 . . . . 0.0 110.952 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -54.73 123.62 13.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.828 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.511 HG21 ' OH ' ' A' ' 16' ' ' TYR . 89.9 m -132.24 145.62 51.44 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.156 -179.881 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 12.5 m-85 -140.75 160.93 38.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.828 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.493 ' O ' HG23 ' A' ' 26' ' ' ILE . 2.2 tt -169.84 39.67 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.154 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.453 ' HG2' ' O ' ' A' ' 26' ' ' ILE . 0.0 OUTLIER 56.56 172.45 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.917 179.898 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -131.63 149.87 74.7 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.636 0.731 . . . . 0.0 110.849 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.66 84.64 0.63 Allowed 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.728 2.286 . . . . 0.0 112.38 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 39.1 mmtm -153.31 60.96 0.76 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.846 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 37.0 m-85 -79.89 93.05 5.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.878 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 51.26 82.05 0.06 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.902 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 5.8 t30 179.82 -34.68 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.902 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.9 mttt -169.59 67.2 0.06 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.898 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.72 154.3 32.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.941 179.837 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 49.3 t -50.97 145.64 7.08 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.836 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 8.6 p -154.3 40.34 0.47 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.173 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 179.02 120.9 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.881 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -49.73 125.45 11.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.832 179.891 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 57.3 69.22 0.76 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.909 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 6.2 m-20 -83.88 -80.74 0.18 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.896 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 1.5 ttmt -179.71 143.67 0.19 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.868 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . 0.497 ' O ' HG23 ' A' ' 44' ' ' THR . 12.2 m -151.1 176.93 10.69 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.921 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.497 HG23 ' O ' ' A' ' 43' ' ' CYS . 0.0 OUTLIER -178.38 145.88 0.35 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.128 -179.877 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 92.7 t -147.34 142.34 19.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.078 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -112.88 131.31 55.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.847 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.539 HG22 ' CE2' ' A' ' 3' ' ' TYR . 68.2 p -64.98 -15.53 62.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.115 -179.893 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 80.8 t80 -51.69 -57.2 9.88 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.904 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 52.5 p-10 -151.4 39.23 0.65 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.897 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 50.78 46.58 25.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.896 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -79.86 96.63 6.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.154 179.866 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 21.4 t -79.95 150.35 4.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.106 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -146.78 90.83 1.95 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.877 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -63.01 177.2 0.61 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.877 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 43.9 t0 . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.86 -179.984 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.855 0.36 . . . . 0.0 110.904 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 12.5 m-85 -145.63 171.37 14.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.895 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -150.74 166.54 30.13 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.128 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 168.67 176.84 39.2 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.407 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.5 mttm -115.36 169.52 9.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.794 0.331 . . . . 0.0 110.91 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -101.2 -179.02 3.92 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.86 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -135.46 132.1 36.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.134 -179.866 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 21.4 mtmt -53.72 -31.86 49.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.948 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 43.6 p -81.76 -25.01 35.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.884 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.91 114.39 5.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.873 179.871 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 35.7 t30 -80.0 73.67 6.78 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.949 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 18.4 pt-20 -138.2 155.68 48.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.947 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 37.5 t -90.85 113.67 25.9 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.882 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.73 100.87 12.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.905 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 35.1 p90 -133.0 176.89 8.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.906 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 2.4 ttmt -108.57 134.14 51.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.909 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . 0.4 ' O ' ' HB3' ' A' ' 19' ' ' ASP . 0.2 OUTLIER -131.27 178.16 6.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.898 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.4 ' HB3' ' O ' ' A' ' 18' ' ' ASN . 25.9 t70 64.15 -81.72 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.857 179.882 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -170.76 47.82 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.127 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 114.34 9.31 15.36 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.516 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 41.3 tttp -87.1 143.02 27.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.786 0.327 . . . . 0.0 110.866 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -87.3 143.2 27.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.87 179.814 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 97.1 m -146.44 134.88 21.96 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.13 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 55.8 m-85 -128.07 117.33 21.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.919 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.401 HG23 ' O ' ' A' ' 26' ' ' ILE . 6.1 tp -123.44 123.92 68.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.145 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 25.1 mttp -77.24 117.57 18.89 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.904 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 19.5 m -68.87 153.26 96.22 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.616 0.722 . . . . 0.0 110.938 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 68.24 1.7 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.7 2.267 . . . . 0.0 112.37 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 20.7 mmtp -144.3 54.61 1.27 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.889 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 26.3 p90 -99.78 41.06 1.18 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.894 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 174.73 -25.89 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.899 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -102.17 -17.45 15.98 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.931 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -179.58 72.71 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.931 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.41 50.41 1.1 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.892 179.879 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 8.2 t 62.12 159.25 0.06 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.852 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 12.6 t -174.81 38.91 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.137 -179.869 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.5 ttmt 176.93 118.01 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.941 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -49.49 113.01 0.73 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.89 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.4 m120 64.35 71.58 0.47 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.911 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -81.76 -79.48 0.17 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.858 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 5.5 tttt -179.43 143.6 0.2 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.888 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -153.67 171.14 19.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.896 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -158.46 150.51 21.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.16 -179.857 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 88.1 t -148.75 137.62 15.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.204 179.85 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -123.77 158.64 31.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.818 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 55.8 p -93.54 -9.07 39.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.094 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 5.0 t80 -51.69 -56.63 12.57 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.938 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 6.6 t30 -151.48 39.25 0.64 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.87 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 50.91 56.53 7.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.907 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -88.36 108.56 19.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.102 179.864 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 21.9 t -102.54 113.02 37.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.104 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -106.42 178.07 4.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.843 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -142.07 176.86 8.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.918 -179.858 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 44.5 t0 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.886 179.996 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 2.9 mtpm? . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.828 0.347 . . . . 0.0 110.889 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.632 ' O ' HG22 ' A' ' 44' ' ' THR . 51.6 m-85 -138.11 132.92 32.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.926 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -86.26 128.47 34.92 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.129 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -159.15 173.08 35.95 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.516 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.5 169.6 17.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.757 0.313 . . . . 0.0 110.944 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 6.0 p -137.64 156.38 48.11 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.937 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.673 HG23 ' H ' ' A' ' 11' ' ' LYS . 3.8 t -98.35 148.25 23.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.16 -179.877 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.37 -21.86 38.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.933 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 4.8 p -87.58 -20.21 26.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.829 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.673 ' H ' HG23 ' A' ' 8' ' ' THR . 1.3 tppt? -145.62 112.49 6.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.877 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 52.1 t30 -81.52 56.89 3.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.871 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -118.8 141.49 48.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.919 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 34.4 t -84.62 113.98 21.66 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.934 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.75 76.27 2.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.874 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 46.1 p90 -104.71 174.78 5.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.938 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -105.16 135.49 46.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.892 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -134.45 164.8 26.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.844 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.407 ' O ' ' HB2' ' A' ' 20' ' ' ALA . 19.4 t0 71.5 -71.66 0.13 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.828 179.852 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.407 ' HB2' ' O ' ' A' ' 19' ' ' ASP . . . 178.92 39.87 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.087 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 128.79 -1.3 6.33 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.517 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 5.1 mmtp -79.84 120.75 24.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.79 0.329 . . . . 0.0 110.869 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 26.5 m-20 -75.63 119.28 19.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.873 179.839 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 18.4 m -105.62 133.47 50.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.176 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 46.2 m-85 -129.49 122.34 29.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.848 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.433 ' O ' HG23 ' A' ' 26' ' ' ILE . 5.2 tp -152.68 117.83 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.092 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -52.72 129.36 29.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.947 179.816 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 7.0 m -79.37 154.07 76.68 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-O 121.612 0.72 . . . . 0.0 110.854 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 85.12 0.63 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.638 2.225 . . . . 0.0 112.362 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 7.9 mmtt -148.31 72.66 1.21 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.906 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.438 ' O ' ' N ' ' A' ' 33' ' ' ASN . 40.7 m-85 -73.11 -164.57 0.18 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.842 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -49.11 90.85 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.871 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.438 ' N ' ' O ' ' A' ' 31' ' ' PHE . 0.5 OUTLIER 177.65 -51.58 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.896 -179.88 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 8.1 mmtm -153.57 60.36 0.75 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.866 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.39 164.53 24.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.947 179.81 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 23.3 p -51.29 140.73 16.36 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.852 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 17.2 p -151.27 47.08 0.83 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.133 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.83 146.66 0.74 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.887 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -71.23 119.72 15.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.891 179.846 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 60.45 57.49 2.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.856 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -61.13 -166.85 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.86 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -110.86 113.17 25.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.925 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . 0.407 ' O ' HG23 ' A' ' 44' ' ' THR . 1.2 m -128.55 172.97 10.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.839 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.632 HG22 ' O ' ' A' ' 3' ' ' TYR . 0.1 OUTLIER -164.75 165.47 20.69 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.15 -179.939 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.4 HG13 ' O ' ' A' ' 51' ' ' ALA . 66.6 t -149.79 128.75 3.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.122 179.893 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.434 ' HB2' ' HB3' ' A' ' 51' ' ' ALA . 2.1 m-20 -106.46 124.47 49.65 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.864 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -73.07 -13.47 61.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.154 -179.891 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 66.3 t80 -51.95 -45.73 64.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.879 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 79.3 m-20 -146.54 38.17 1.02 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.871 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 47.58 44.78 17.42 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.929 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.434 ' HB3' ' HB2' ' A' ' 46' ' ' ASP . . . -83.62 149.69 26.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.146 179.858 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 21.1 t -133.04 107.54 11.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.154 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -80.98 153.95 27.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.908 179.899 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -136.3 137.6 40.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.876 -179.883 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 7.8 t0 . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.832 -179.94 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.831 0.348 . . . . 0.0 110.915 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.506 ' O ' HG22 ' A' ' 44' ' ' THR . 45.2 m-85 -129.74 165.64 21.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.912 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 15.2 t -145.82 133.76 21.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.125 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -150.97 -138.62 2.86 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.484 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 9.3 mtmm -144.21 169.75 17.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.827 0.346 . . . . 0.0 110.908 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 2.1 p -135.8 150.28 49.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.811 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -89.38 147.31 24.12 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.146 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -55.11 -74.68 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.837 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 52.6 p -58.99 -34.75 72.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.861 -179.849 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.91 93.3 4.46 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.868 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 28.8 t30 -79.39 72.45 6.01 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.948 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -137.55 143.26 41.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.934 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 54.0 t -86.19 116.71 24.55 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.93 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -104.07 59.79 0.73 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.885 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 10.4 p90 -91.29 -172.62 3.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.95 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 17.0 mttp -126.81 126.71 43.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.879 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -115.01 168.27 10.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.86 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 6.3 t0 71.71 -70.24 0.16 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.855 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -179.16 39.9 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.074 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 122.02 7.66 7.73 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.546 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.83 107.91 12.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.787 0.327 . . . . 0.0 110.938 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -56.19 129.3 39.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.903 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 99.8 m -128.49 130.97 48.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.251 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 54.5 m-85 -128.7 118.39 22.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.85 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.452 ' O ' HG23 ' A' ' 26' ' ' ILE . 9.6 tt -147.0 109.19 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.191 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.36 131.61 28.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.902 179.891 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 10.2 m -74.08 152.84 88.58 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.638 0.732 . . . . 0.0 110.889 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 64.82 1.84 Allowed 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.68 2.254 . . . . 0.0 112.39 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.8 mptp? -142.18 45.23 1.66 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.896 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 19.0 m-85 -78.75 120.65 23.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.86 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 64.49 15.03 9.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.896 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 2.9 m-80 -127.88 -36.23 2.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.895 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 10.2 ttmt -175.58 64.05 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.855 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 21.3 mtpt -77.83 59.13 2.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.936 179.805 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 19.5 t 64.2 153.64 0.05 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.831 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 24.3 p -148.76 39.02 0.85 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.191 -179.868 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 177.98 130.2 0.06 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.955 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -50.34 123.26 8.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.884 179.881 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 50.22 52.79 14.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -60.23 -169.54 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.926 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 4.8 tttt -103.3 110.98 23.17 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.924 179.856 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 15.7 p -119.73 -170.0 1.87 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.902 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.506 HG22 ' O ' ' A' ' 3' ' ' TYR . 0.0 OUTLIER -169.3 158.43 8.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.111 -179.838 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 88.0 t -150.46 102.84 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.136 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.763 ' HB3' ' HB3' ' A' ' 51' ' ' ALA . 0.0 OUTLIER -86.55 141.51 28.99 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.802 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -88.94 -21.25 23.67 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.177 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 12.2 t80 -47.65 -46.91 29.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.95 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 36.7 t30 -152.93 38.08 0.51 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.858 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 47.11 68.48 0.63 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.845 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.763 ' HB3' ' HB3' ' A' ' 46' ' ' ASP . . . -99.12 103.58 15.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.088 179.888 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 19.7 t -97.47 130.76 45.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.105 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 75.9 m-20 -130.9 167.04 19.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.898 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 16.7 p -151.91 165.33 34.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.863 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.82 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 2.3 pttt . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.759 0.314 . . . . 0.0 110.943 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 69.8 m-85 -120.07 145.81 46.52 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.919 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 10.1 m -112.05 124.22 51.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.181 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -145.72 -138.27 3.21 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.453 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -162.43 176.47 10.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.766 0.317 . . . . 0.0 110.897 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -118.1 -176.85 3.14 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.88 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -125.78 134.84 51.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.138 -179.891 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 14.2 ptpt -54.05 -36.98 63.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.892 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 2.8 p -97.07 21.56 9.64 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.862 -179.88 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -179.51 104.99 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.864 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 45.6 t30 -79.87 62.73 4.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.933 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 17.9 pt-20 -131.24 136.01 47.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.89 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 2.5 p -62.63 147.4 49.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.924 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 3.4 ptmm? -134.23 75.03 1.57 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.928 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 8.4 p90 -117.16 -171.29 2.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.9 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 21.0 mttt -124.05 120.41 32.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.859 179.871 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -110.88 161.11 16.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.917 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 6.2 t70 71.83 -69.69 0.18 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.86 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -178.22 40.14 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.104 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 111.59 16.44 9.4 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.517 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -79.92 111.36 16.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.771 0.319 . . . . 0.0 110.896 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 32.7 m-20 -52.86 127.25 22.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.932 179.843 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 99.2 m -149.29 129.43 13.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.148 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 38.7 m-85 -135.4 124.62 24.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.931 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.41 HD12 ' N ' ' A' ' 27' ' ' LYS . 2.9 tp -137.48 128.66 39.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.112 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.41 ' N ' HD12 ' A' ' 26' ' ' ILE . 14.3 mttt -61.77 136.11 57.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.953 179.823 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 9.6 m -88.54 144.49 33.7 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.622 0.725 . . . . 0.0 110.904 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 64.84 1.81 Allowed 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.717 2.278 . . . . 0.0 112.332 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 11.5 mmtp -144.39 53.01 1.26 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.904 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 32.3 p90 -98.98 39.7 1.26 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.907 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 174.89 -26.16 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.899 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 9.5 m-20 -102.84 -16.36 15.93 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.848 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 3.2 tptt -176.01 69.83 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.93 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.673 ' O ' HG23 ' A' ' 37' ' ' THR . 0.2 OUTLIER -77.82 105.83 9.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.861 179.898 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 1.3 m -52.27 131.72 33.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.843 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.673 HG23 ' O ' ' A' ' 35' ' ' LYS . 21.0 p -138.94 39.87 2.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.116 -179.846 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.72 154.58 42.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.92 179.817 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -86.17 115.05 23.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.889 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 65.87 29.99 10.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.86 -179.887 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -51.44 -77.39 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.906 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 6.1 ttpt 179.78 148.71 0.29 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.916 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -162.88 172.46 15.1 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.876 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -159.3 155.56 27.1 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.092 -179.843 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 78.5 t -150.91 105.02 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.152 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.508 ' OD2' ' HB3' ' A' ' 51' ' ' ALA . 1.7 m-20 -88.84 121.02 30.78 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.913 179.881 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -73.3 -14.69 61.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.194 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 4.8 t80 -50.75 -48.68 59.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.927 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -151.27 38.8 0.65 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.861 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 49.5 59.78 4.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.888 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.508 ' HB3' ' OD2' ' A' ' 46' ' ' ASP . . . -104.78 105.87 16.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.073 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 12.3 t -100.47 141.75 16.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.108 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -118.8 -171.46 2.1 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.868 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -156.29 162.3 40.12 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.884 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 26.3 t0 . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.936 179.987 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.158 0 CA-C-O 120.798 0.332 . . . . 0.0 110.926 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.44 ' CE2' HG22 ' A' ' 47' ' ' THR . 17.4 m-85 -142.83 159.22 42.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.893 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 15.0 t -143.96 140.15 29.49 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.116 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -162.56 -163.46 15.34 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.513 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -146.7 155.78 42.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.775 0.322 . . . . 0.0 110.903 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 39.2 m -113.28 153.95 27.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.882 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.462 HG23 ' N ' ' A' ' 11' ' ' LYS . 14.6 t -100.74 164.63 11.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.08 -179.807 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 11.0 mtpt -66.8 -26.7 67.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.942 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 58.9 p -99.69 20.05 14.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.856 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.462 ' N ' HG23 ' A' ' 8' ' ' THR . 0.3 OUTLIER -179.95 113.3 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.878 179.969 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 51.8 t30 -94.47 62.31 2.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.844 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 22.4 pt-20 -128.0 142.79 51.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.846 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 17.1 t -81.0 110.07 16.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.942 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -89.44 68.59 7.89 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.92 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 32.0 p90 -103.74 177.61 4.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.987 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 9.0 mttp -121.79 139.39 53.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.943 179.86 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -123.59 169.7 11.18 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.842 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 20.0 t0 72.12 -69.47 0.19 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.867 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -175.51 41.34 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.133 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 113.82 13.47 10.24 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.528 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -80.0 112.9 17.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.774 0.321 . . . . 0.0 110.88 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -51.95 130.5 29.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.934 179.817 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 96.9 m -138.93 130.33 27.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.12 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 49.4 m-85 -130.49 133.01 45.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.882 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.417 ' O ' HG23 ' A' ' 26' ' ' ILE . 12.6 tt -156.41 121.14 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.115 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.4 mmtt -58.78 129.55 42.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.938 179.799 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.406 ' SG ' HG11 ' A' ' 52' ' ' VAL . 15.7 m -81.1 151.34 69.91 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.622 0.725 . . . . 0.0 110.859 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.68 72.24 1.42 Allowed 'Trans proline' 0 C--N 1.34 0.131 0 C-N-CA 122.727 2.285 . . . . 0.0 112.357 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.27 68.9 1.33 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.902 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.455 ' O ' ' N ' ' A' ' 33' ' ' ASN . 42.3 m-85 -73.11 -164.12 0.17 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.843 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -47.05 91.25 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.87 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.455 ' N ' ' O ' ' A' ' 31' ' ' PHE . 4.9 t30 175.87 -52.55 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.856 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 3.5 ttpt -149.38 56.12 0.98 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.95 179.834 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -79.28 174.13 11.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.911 179.859 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 10.2 t -67.67 149.78 49.58 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.888 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 40.1 p -146.43 39.92 1.09 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.173 -179.849 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 179.26 122.97 0.05 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.819 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -50.89 114.3 1.13 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.847 179.89 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 62.59 75.37 0.4 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.879 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -88.31 -79.38 0.3 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.874 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 7.5 tttt -179.47 130.89 0.1 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.891 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -138.87 -179.73 6.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.847 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -172.43 149.05 2.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.125 -179.875 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.501 HG22 HG22 ' A' ' 52' ' ' VAL . 97.3 t -149.04 138.82 16.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.166 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -114.95 146.56 41.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.847 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.44 HG22 ' CE2' ' A' ' 3' ' ' TYR . 48.2 p -82.11 -13.74 56.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.13 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 5.0 t80 -51.66 -55.35 19.92 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.932 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 3.9 t30 -151.47 39.22 0.64 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.928 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 50.78 46.26 26.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.899 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -83.51 108.3 16.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.121 179.866 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.501 HG22 HG22 ' A' ' 45' ' ' VAL . 20.7 t -99.81 150.69 5.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.084 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -129.09 175.6 8.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.825 179.874 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 16.6 p -137.04 156.21 48.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.918 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 48.0 t0 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.88 -179.916 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 27.0 mttp . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.861 0.363 . . . . 0.0 110.92 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 90.1 m-85 -142.62 128.1 18.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.937 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 15.2 t -81.11 134.55 35.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.15 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -171.02 -170.1 34.81 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.471 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.39 169.47 21.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.758 0.313 . . . . 0.0 110.955 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 18.9 m -118.53 167.26 11.78 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.904 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 8.3 p -119.4 147.26 44.57 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.157 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.16 -25.3 58.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.901 179.858 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.0 p -102.78 17.43 23.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.831 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -179.54 96.44 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.935 179.888 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 42.5 t30 -79.92 64.57 4.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.875 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 23.0 pt-20 -137.18 134.25 36.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.891 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.417 ' SG ' HG23 ' A' ' 45' ' ' VAL . 2.1 t -72.93 96.75 2.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.88 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 3.8 mtmt -81.19 61.82 4.88 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.859 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 29.1 p90 -96.57 178.82 5.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.915 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 8.5 ptpt -122.03 139.51 53.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.878 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -126.79 168.58 14.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.825 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 6.2 t70 72.02 -69.75 0.18 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.863 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -178.47 56.62 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.103 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 93.89 20.28 31.59 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.471 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.7 156.71 27.42 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.804 0.335 . . . . 0.0 110.917 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -89.74 112.41 23.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.859 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 96.2 m -137.37 124.79 21.99 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.075 -179.833 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 36.1 m-85 -125.4 147.58 49.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.87 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.436 ' O ' HG23 ' A' ' 26' ' ' ILE . 4.7 tp -158.5 115.07 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.121 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 7.1 ttmm -64.35 112.36 3.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.857 179.808 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.541 ' HA ' HG11 ' A' ' 52' ' ' VAL . 56.5 m -51.8 152.77 4.86 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-O 121.599 0.714 . . . . 0.0 110.928 179.892 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.565 ' HD2' HG13 ' A' ' 52' ' ' VAL . 54.2 Cg_endo -69.77 75.31 1.22 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.665 2.243 . . . . 0.0 112.361 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 6.1 mmtp -144.0 68.39 1.27 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.865 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 2.8 p90 -96.54 88.32 4.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.847 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 9.5 t70 64.09 68.21 0.57 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.835 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 10.2 t30 -162.33 -49.72 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.922 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -176.88 55.47 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.879 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.61 174.86 11.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.871 179.876 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 37.7 t -51.47 149.49 4.24 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.832 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 38.9 p -136.74 39.68 2.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.163 -179.866 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -177.85 178.44 0.97 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.902 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -90.74 118.37 30.12 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.847 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 54.08 70.66 0.58 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.937 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 -79.89 -82.62 0.11 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.957 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 22.8 tttt 177.67 119.11 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.894 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 65.4 m -145.88 163.95 33.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.796 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 12.6 p -154.21 115.93 4.19 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.063 -179.865 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.548 HG22 ' HB ' ' A' ' 52' ' ' VAL . 39.1 t -87.17 141.08 14.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.134 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 63.9 t0 -117.32 110.47 18.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.839 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -68.64 -11.92 60.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.156 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 48.3 t80 -51.61 -55.19 20.69 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.91 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 34.9 p30 -150.76 39.83 0.72 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.896 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 4.9 m120 52.18 59.0 4.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.896 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -123.94 86.22 2.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.119 179.859 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.565 HG13 ' HD2' ' A' ' 29' ' ' PRO . 7.4 p -87.93 147.09 5.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.119 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -108.75 164.25 12.54 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.862 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 21.8 t -144.09 153.84 42.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.913 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.1 t70 . . . . . 0 C--N 1.328 -0.364 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.841 179.987 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 12.6 mttt . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.739 0.304 . . . . 0.0 110.929 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 9.1 m-30 -101.0 135.87 41.75 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.01 0.433 . . . . 0.0 110.881 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 28.3 m -79.73 95.05 5.86 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.181 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -111.48 177.67 19.07 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.489 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 16.7 mtpt -143.98 157.22 44.48 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.728 0.299 . . . . 0.0 110.906 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 5.8 p -128.26 155.17 45.0 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.877 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -97.25 147.72 23.84 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.039 -179.779 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 12.7 mtmt -53.21 -65.56 0.54 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.936 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.1 p -57.42 -47.56 81.42 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.805 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -110.97 96.7 6.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.893 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 62.5 t30 -79.21 76.45 5.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.937 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -131.64 149.8 52.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.884 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -79.8 116.38 19.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.86 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 15.6 tttt -118.7 91.19 3.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.859 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 12.8 p90 -126.89 175.51 7.99 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.942 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 13.2 ttpt -100.97 116.03 31.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.907 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -118.14 157.83 26.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.879 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 6.0 t70 71.67 -70.92 0.14 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.889 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -179.41 40.99 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.118 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 110.63 16.79 9.73 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.446 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 12.5 mmtt -79.73 108.58 13.4 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.738 0.304 . . . . 0.0 110.888 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -59.9 96.96 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.92 179.817 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 83.3 m -119.02 132.6 56.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.14 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 45.5 m-85 -122.64 144.33 49.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.821 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.42 ' O ' HG23 ' A' ' 26' ' ' ILE . 1.0 OUTLIER -156.67 120.22 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.17 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 10.4 mttt -50.37 151.94 2.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.862 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 56.2 m -114.77 157.07 44.02 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.675 0.75 . . . . 0.0 110.89 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 143.59 51.21 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.668 2.245 . . . . 0.0 112.328 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -163.61 49.91 0.14 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.898 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 3.6 p90 -79.52 62.24 3.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.86 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 66.37 64.77 0.5 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.827 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 179.88 -32.81 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.933 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -135.41 49.66 2.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.891 179.826 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 2.7 mttp -79.13 130.33 35.39 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.905 179.833 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 7.7 t -61.61 137.04 58.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.941 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 7.2 p -154.79 41.22 0.45 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.147 -179.853 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -179.82 125.5 0.08 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.848 179.902 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -50.72 122.04 6.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.825 179.871 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 61.15 62.19 1.44 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.864 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -70.48 -164.36 0.08 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.862 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 1.9 ttpt -106.74 110.01 22.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.87 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 1.3 m -107.94 -176.69 3.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.86 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -157.56 143.17 17.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.102 -179.85 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 75.8 t -147.5 106.62 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.094 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.658 ' CB ' ' HB3' ' A' ' 51' ' ' ALA . 4.5 t0 -79.97 145.24 32.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.928 179.863 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 19.0 p -90.63 -19.97 23.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.102 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 27.0 t80 -51.75 -47.75 63.97 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.901 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 34.7 p30 -155.02 39.75 0.42 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.94 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 4.7 m120 51.2 59.43 4.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.854 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.658 ' HB3' ' CB ' ' A' ' 46' ' ' ASP . . . -85.0 91.72 8.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.135 179.831 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 18.7 t -81.18 137.27 21.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.12 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -150.36 124.72 9.53 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.794 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.7 t -86.29 167.04 15.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.84 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.912 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 34.4 mtmt . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.847 0.356 . . . . 0.0 110.899 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 97.3 m-85 -145.4 126.4 14.56 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.994 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.419 ' HA ' HG22 ' A' ' 44' ' ' THR . 15.3 t -101.53 133.96 45.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.153 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -153.93 -130.38 1.43 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.497 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -169.33 155.92 6.6 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.757 0.313 . . . . 0.0 110.929 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 1.9 p -127.04 149.63 49.82 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.93 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 10.5 p -91.44 142.17 27.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.164 -179.863 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 16.7 ptmt -50.99 -36.88 41.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.903 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 34.6 p -75.58 -31.46 60.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.908 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.47 104.69 7.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.921 179.904 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 25.9 t30 -79.38 73.5 6.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.819 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -140.56 152.54 45.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.896 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 36.7 t -95.37 115.81 27.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.878 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.22 67.48 1.59 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.858 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 19.5 p90 -94.92 -170.13 2.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.868 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 2.9 mttt -129.85 130.11 44.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.897 179.86 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -120.78 169.88 9.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.897 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 5.5 t70 71.81 -70.13 0.17 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.908 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -178.92 63.62 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.144 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 90.74 18.87 46.22 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.463 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 10.1 tttt -79.51 179.59 7.38 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.814 0.34 . . . . 0.0 110.94 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -114.92 129.26 56.67 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.897 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 96.7 m -142.97 128.01 18.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.16 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 45.5 m-85 -127.83 120.02 26.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.861 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.461 ' O ' HG23 ' A' ' 26' ' ' ILE . 3.9 tp -135.32 109.45 10.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.083 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.03 115.77 3.37 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.866 179.878 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.524 ' HA ' HG11 ' A' ' 52' ' ' VAL . 52.3 m -52.91 152.96 6.5 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.642 0.734 . . . . 0.0 110.859 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.547 ' HD2' HG13 ' A' ' 52' ' ' VAL . 53.9 Cg_endo -69.73 79.19 0.95 Allowed 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.664 2.243 . . . . 0.0 112.356 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 11.0 mmtt -147.08 62.3 1.18 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.883 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 16.3 m-85 -87.65 98.88 11.67 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.896 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 16.6 t0 56.82 73.68 0.44 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.874 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -178.45 -48.18 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.885 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.9 mptt -156.62 59.58 0.55 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.824 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.4 125.9 30.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.835 179.878 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -53.76 138.73 34.82 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.831 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 4.4 t -135.16 60.31 1.7 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.167 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -160.72 112.88 1.94 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.96 179.87 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -49.66 128.05 17.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.897 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 62.63 38.92 11.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.906 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -60.34 -169.8 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.903 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -109.43 107.96 18.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.949 179.816 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 11.2 p -131.07 154.58 48.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.864 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.419 HG22 ' HA ' ' A' ' 4' ' ' THR . 36.9 p -147.47 118.46 7.68 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.149 -179.826 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.486 HG22 ' CG2' ' A' ' 52' ' ' VAL . 61.6 t -92.64 142.69 12.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.109 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 19.3 t0 -111.6 126.55 55.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.856 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -83.83 -10.82 57.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.107 -179.896 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -51.46 -57.16 9.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.912 -179.832 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 19.8 t30 -155.5 39.58 0.39 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.86 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.1 m120 60.28 69.65 0.68 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.898 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -132.26 83.54 2.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.138 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.547 HG13 ' HD2' ' A' ' 29' ' ' PRO . 11.2 p -89.79 145.77 7.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.161 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 78.7 m-20 -99.32 -175.62 3.06 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.951 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 14.8 p -148.09 151.59 35.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.872 -179.857 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 16.0 t70 . . . . . 0 C--N 1.328 -0.354 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.935 179.974 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 39.1 mttt . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.82 0.343 . . . . 0.0 110.831 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 92.1 m-85 -153.12 125.62 8.18 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.881 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 5.9 m -97.47 151.42 20.01 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.112 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -160.13 -136.29 2.0 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.467 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.444 ' HB2' ' HA ' ' A' ' 40' ' ' ASN . 0.0 OUTLIER -163.67 142.1 7.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.732 0.301 . . . . 0.0 110.886 -179.977 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 89.4 m -101.8 173.65 6.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.849 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 4.6 p -116.88 135.49 53.68 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.199 -179.846 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.25 -21.59 48.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.942 179.865 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 90.3 p -100.6 16.02 26.16 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.829 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -174.72 108.88 0.12 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.918 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 34.4 t30 -84.5 76.13 10.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.896 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -135.38 137.16 42.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.859 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.436 ' SG ' HG13 ' A' ' 52' ' ' VAL . 0.1 OUTLIER -69.28 108.81 3.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.872 -179.944 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.41 108.54 20.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.943 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.618 ' CD1' HG21 ' A' ' 45' ' ' VAL . 17.3 p90 -136.6 173.67 11.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.925 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 9.5 mttp -110.71 122.18 47.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.861 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -111.91 166.33 11.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.881 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 5.1 t70 71.98 -69.4 0.19 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.928 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -173.84 43.76 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.034 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 111.27 14.26 12.07 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.475 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.98 113.87 23.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.822 0.344 . . . . 0.0 110.821 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -51.8 148.17 6.01 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.836 179.844 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 14.1 m -149.65 135.36 18.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.201 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 17.3 m-85 -132.13 135.79 46.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.92 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.464 ' O ' HG23 ' A' ' 26' ' ' ILE . 0.9 OUTLIER -154.08 38.55 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.12 -179.951 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 54.57 179.83 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.921 179.856 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.1 m -132.57 144.32 52.48 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-O 121.655 0.74 . . . . 0.0 110.892 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 70.97 1.56 Allowed 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.681 2.254 . . . . 0.0 112.358 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 14.8 mmtt -139.05 65.53 1.44 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.907 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 26.0 m-85 -80.2 86.56 5.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.892 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 10.7 t70 51.42 86.18 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -179.33 -40.25 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.876 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 7.8 tttp -174.97 66.48 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.866 179.867 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.2 mppt? -78.92 177.71 8.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.893 179.83 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 25.1 p -51.23 155.31 1.39 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.866 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 12.1 t -160.05 39.52 0.18 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.13 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.7 tmtt? -179.74 151.12 0.43 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.896 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -75.45 105.66 6.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.96 179.797 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . 0.444 ' HA ' ' HB2' ' A' ' 6' ' ' LYS . 1.2 m120 68.13 42.74 1.71 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.897 -179.838 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.2 p30 -54.75 -75.6 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.869 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 11.2 ttpt 178.09 146.95 0.14 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.913 179.875 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 3.1 p -150.58 176.56 10.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.834 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -166.2 144.23 5.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.174 -179.877 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.618 HG21 ' CD1' ' A' ' 16' ' ' TYR . 70.2 t -137.8 140.39 41.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.158 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.668 ' HB3' ' HB3' ' A' ' 51' ' ' ALA . 23.0 t0 -121.05 95.51 4.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.911 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.4 t -61.16 -16.32 43.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.19 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 91.6 t80 -51.5 -40.77 60.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.947 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 25.3 t30 -146.78 37.39 0.98 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.873 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 48.14 60.64 3.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.948 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.668 ' HB3' ' HB3' ' A' ' 46' ' ' ASP . . . -100.53 158.33 16.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.083 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.436 HG13 ' SG ' ' A' ' 14' ' ' CYS . 23.4 t -145.81 135.33 17.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.056 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -133.07 -176.12 4.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.832 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.6 t -164.96 166.89 19.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.845 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 17.8 t0 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.876 -179.987 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.479 ' HB3' HG21 ' A' ' 47' ' ' THR . . . . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.913 0.387 . . . . 0.0 111.069 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -162.28 167.72 23.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.882 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 11.4 m-85 -145.42 155.56 43.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.946 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.434 HG23 HG23 ' A' ' 44' ' ' THR . 2.0 m -134.97 144.91 47.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.179 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -166.89 -154.45 8.42 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.526 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -144.19 170.96 14.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.797 0.332 . . . . 0.0 110.882 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 9.3 m -111.52 170.48 8.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.891 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -119.41 131.65 55.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.118 -179.862 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.29 -34.6 47.35 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.925 179.872 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 54.6 p -82.7 -25.77 32.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.91 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -145.0 111.73 5.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.894 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 27.0 t30 -79.92 74.0 6.68 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.861 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -135.98 151.93 50.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.886 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 25.9 t -87.69 105.1 17.14 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.843 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.69 61.28 6.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.885 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 21.5 p90 -96.56 -170.27 2.04 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.92 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -130.81 133.89 46.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.931 179.871 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -118.6 168.37 10.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.905 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 25.2 t0 72.12 -69.42 0.19 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.872 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -173.96 44.81 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.134 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 106.37 17.53 12.36 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.541 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 3.2 tmtt? -79.85 115.91 19.71 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.767 0.317 . . . . 0.0 110.901 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -51.87 124.59 12.99 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.805 179.867 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 97.2 m -137.65 133.01 33.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.201 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 54.5 m-85 -130.6 112.74 13.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.857 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 6.1 tp -128.47 123.81 60.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.166 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 12.8 mtpt -66.95 127.21 31.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.915 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 19.9 m -73.02 153.65 90.82 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.566 0.698 . . . . 0.0 110.892 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.81 82.57 0.75 Allowed 'Trans proline' 0 C--N 1.34 0.121 0 C-N-CA 122.712 2.274 . . . . 0.0 112.32 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 3.7 mmtm -145.14 67.77 1.24 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.948 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 16.5 m-85 -79.74 108.1 13.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.859 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 51.74 32.29 9.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.9 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -125.52 -37.42 2.35 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.933 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 5.2 mttt -179.4 71.2 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.879 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 13.8 mtpp -83.31 53.98 2.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.879 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 19.7 t 64.03 153.27 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.938 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 7.5 p -154.76 39.12 0.43 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.197 -179.823 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 178.33 130.74 0.07 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.891 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -51.9 120.81 5.71 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.851 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 51.75 53.49 12.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.895 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -61.2 -76.53 0.05 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.935 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 18.8 tttt -179.3 143.69 0.21 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.879 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -152.21 167.26 29.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.907 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.434 HG23 HG23 ' A' ' 4' ' ' THR . 0.0 OUTLIER -165.23 138.23 4.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.112 -179.819 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.518 HG22 HG22 ' A' ' 52' ' ' VAL . 95.8 t -131.04 144.24 38.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.062 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -125.6 138.12 53.92 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.826 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.479 HG21 ' HB3' ' A' ' 1' ' ' ALA . 67.6 p -73.22 -10.56 59.89 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.161 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 9.6 t80 -51.58 -58.1 7.26 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.879 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.443 ' OD1' ' HB2' ' A' ' 51' ' ' ALA . 45.1 p30 -151.68 39.35 0.63 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.863 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 50.96 47.81 24.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.85 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.443 ' HB2' ' OD1' ' A' ' 49' ' ' ASN . . . -87.54 100.1 12.53 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.085 179.856 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.518 HG22 HG22 ' A' ' 45' ' ' VAL . 21.4 t -96.94 112.88 29.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.151 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 22.1 m-20 -84.53 179.95 7.28 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.973 179.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 16.6 p -150.18 146.65 26.99 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.872 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 22.0 t0 . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.912 179.95 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.568 ' HB3' HG21 ' A' ' 47' ' ' THR . . . . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.806 0.336 . . . . 0.0 111.148 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 47.9 mtmt -151.78 170.07 20.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.87 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 15.7 m-85 -145.59 146.53 31.41 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.902 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 25.9 p -133.16 143.43 49.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.149 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -170.92 -150.13 6.85 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.444 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -148.76 166.49 28.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.785 0.326 . . . . 0.0 110.916 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 82.4 m -115.75 158.53 22.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.897 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.416 HG23 ' H ' ' A' ' 11' ' ' LYS . 2.0 t -108.29 142.59 38.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.178 -179.869 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 10.9 ptmm? -55.86 -26.12 45.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.954 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.2 p -74.63 -25.27 59.12 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.858 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.416 ' H ' HG23 ' A' ' 8' ' ' THR . 0.1 OUTLIER -155.69 117.3 3.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.928 179.948 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 49.2 t30 -79.9 66.02 5.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.904 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 17.1 pt-20 -132.53 150.06 52.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.844 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 38.3 t -78.61 113.41 16.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.948 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 15.0 ptpt -100.72 66.49 1.21 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.88 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 14.9 p90 -101.78 178.7 4.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.944 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 17.4 mttt -107.15 102.08 11.44 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.913 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -92.65 144.33 25.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.947 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 26.0 t0 72.17 -69.32 0.19 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.781 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -170.21 52.1 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.1 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 83.22 28.37 37.06 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.489 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.39 127.82 32.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.851 0.358 . . . . 0.0 110.851 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -51.97 108.59 0.29 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.829 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 94.9 m -148.48 127.87 13.07 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.132 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 36.3 m-85 -137.27 127.04 25.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.962 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 17.2 tt -133.11 133.54 58.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.143 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.3 mppt? -65.83 133.23 50.53 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.916 179.828 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 60.2 m -78.11 153.58 79.86 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.629 0.728 . . . . 0.0 110.849 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 86.24 0.59 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.696 2.264 . . . . 0.0 112.301 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 68.9 mmtt -143.73 67.06 1.28 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.879 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 13.4 m-85 -79.88 74.24 6.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.901 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 8.9 t0 63.51 86.1 0.12 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.914 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -177.0 -35.93 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.903 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 7.5 tptm -175.7 57.99 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.901 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -79.93 158.34 26.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.851 179.867 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 40.7 t -52.25 148.77 6.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.875 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 10.4 p -148.87 39.84 0.87 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.128 -179.804 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -179.96 161.08 0.92 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.903 179.873 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -71.22 111.69 6.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.829 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 61.77 75.01 0.42 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.937 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -84.42 -78.64 0.23 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.923 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -179.34 143.98 0.21 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.923 179.872 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 19.1 p -169.45 153.64 5.3 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.836 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -138.35 162.3 34.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.116 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.491 HG22 HG22 ' A' ' 52' ' ' VAL . 86.5 t -150.4 143.69 17.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.117 179.858 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -122.59 148.75 44.86 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.874 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.568 HG21 ' HB3' ' A' ' 1' ' ' ALA . 71.1 p -83.9 -16.08 45.65 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.125 -179.88 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 5.0 t80 -51.63 -56.24 14.72 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.972 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 28.0 t30 -151.6 39.22 0.63 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.832 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 6.8 m120 51.02 50.36 19.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.836 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -80.11 80.39 6.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.108 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.491 HG22 HG22 ' A' ' 45' ' ' VAL . 44.9 t -81.14 133.1 30.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.125 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 28.8 m-20 -115.79 -173.27 2.31 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.902 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -151.6 166.9 29.8 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.892 -179.905 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 65.4 t0 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.884 -179.969 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.617 ' HB3' HG21 ' A' ' 47' ' ' THR . . . . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.757 0.313 . . . . 0.0 111.112 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 6.0 mtmt -163.0 169.1 20.11 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.873 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 14.5 m-85 -145.49 160.13 42.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.86 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 3.0 m -148.32 153.52 38.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.15 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 179.22 -145.5 6.68 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.453 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.0 175.79 9.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.704 0.288 . . . . 0.0 110.925 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -106.89 -172.54 2.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.852 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -135.17 131.38 36.71 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.062 -179.851 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.27 -27.2 54.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.875 179.872 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -86.26 -19.4 29.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.824 -179.902 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.1 ttmt -156.38 119.1 4.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.914 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 46.3 t30 -79.64 61.88 3.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.875 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 21.3 pt-20 -122.33 147.86 45.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.841 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 36.5 t -79.14 106.77 11.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.834 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -95.38 79.53 3.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.886 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 14.0 p90 -111.43 -170.51 1.66 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.888 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.26 127.07 40.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.888 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -115.3 168.35 10.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.877 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 10.0 t0 72.09 -69.43 0.19 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.869 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -175.28 42.35 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.044 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 112.13 13.99 11.48 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.505 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.96 113.61 18.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.835 0.35 . . . . 0.0 110.922 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -52.9 131.49 35.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.872 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 97.4 m -140.56 131.81 26.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.199 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 53.1 m-85 -128.24 130.57 48.13 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.926 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.402 ' O ' HG23 ' A' ' 26' ' ' ILE . 6.1 tp -152.04 124.26 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.1 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 8.7 tttm -54.09 135.73 42.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.919 179.826 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 16.6 m -94.2 153.18 40.68 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.65 0.738 . . . . 0.0 110.856 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 80.43 0.87 Allowed 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.7 2.267 . . . . 0.0 112.333 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 23.1 mmtm -148.4 64.84 1.08 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.941 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 10.2 p90 -104.9 115.58 30.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.875 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 53.9 66.55 1.2 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.841 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -179.85 -34.73 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.94 -179.902 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.59 60.27 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.851 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -78.92 149.21 32.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.961 179.812 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 17.2 p -51.66 153.71 2.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.891 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 8.6 p -154.11 39.76 0.47 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.142 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 179.64 155.03 0.53 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.932 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -72.41 114.96 11.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.848 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 61.89 74.34 0.44 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.872 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 -84.49 -78.97 0.23 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.912 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 11.8 tttt -178.71 143.27 0.24 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.883 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 17.8 p -165.4 158.56 16.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.818 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -145.35 159.18 43.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.152 -179.841 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.412 HG22 HG13 ' A' ' 52' ' ' VAL . 84.6 t -150.33 143.16 17.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.119 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -126.49 143.57 51.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.846 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.617 HG21 ' HB3' ' A' ' 1' ' ' ALA . 59.9 p -76.84 -10.31 59.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.171 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 74.4 t80 -51.64 -58.27 6.82 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.91 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 53.2 p-10 -150.52 39.13 0.72 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.948 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 51.02 46.21 26.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -80.6 84.39 6.19 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.055 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.412 HG13 HG22 ' A' ' 45' ' ' VAL . 31.2 t -83.58 122.84 38.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.126 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 54.4 m-20 -110.25 -173.52 2.27 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.91 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -155.57 178.67 9.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.863 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 25.1 t0 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.852 -179.945 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.718 ' HB3' ' OG1' ' A' ' 47' ' ' THR . . . . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.83 0.347 . . . . 0.0 111.095 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -139.8 161.61 37.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.962 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 37.2 m-85 -142.58 135.63 28.41 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.929 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 14.2 m -93.07 124.73 37.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.176 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -157.55 153.53 24.73 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.446 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.6 170.29 8.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.763 0.315 . . . . 0.0 110.899 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 68.4 m -136.97 156.22 48.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.91 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 2.7 t -104.8 145.61 30.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.152 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.84 -25.16 60.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.921 179.871 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 4.7 p -95.69 17.32 15.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.852 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -179.67 105.29 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.876 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 38.1 t30 -85.98 75.93 9.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.855 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -140.34 136.99 33.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.835 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 4.4 t -75.96 105.08 6.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.866 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.66 52.02 2.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.915 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 28.8 p90 -85.19 179.07 7.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.927 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 5.5 ptpp? -126.38 135.31 51.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.875 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -120.04 176.33 5.48 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.893 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 23.4 t0 71.97 -69.52 0.18 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -177.12 39.92 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.168 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 113.63 14.13 9.83 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.459 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 3.7 mmtt -81.94 116.11 21.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.791 0.329 . . . . 0.0 110.943 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -51.76 127.65 21.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.871 179.862 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 98.1 m -136.94 133.35 35.56 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.149 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 54.6 m-85 -128.26 151.31 49.43 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.887 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.409 ' O ' HG23 ' A' ' 26' ' ' ILE . 5.9 tp -173.91 122.46 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.01 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.63 115.6 4.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.862 179.88 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.424 ' SG ' HG11 ' A' ' 52' ' ' VAL . 19.7 m -69.19 153.47 95.95 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.637 0.732 . . . . 0.0 110.871 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.77 78.92 0.98 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.677 2.251 . . . . 0.0 112.395 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 16.5 mmtt -144.08 68.05 1.27 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.94 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 5.2 p90 -102.27 110.97 23.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.887 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 52.39 69.04 0.73 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.896 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 8.9 t-20 -178.43 -47.37 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.885 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.24 58.08 0.46 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.91 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.55 ' O ' HG23 ' A' ' 37' ' ' THR . 0.1 OUTLIER -79.43 153.42 29.69 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.873 179.877 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 36.3 t -52.06 136.51 29.25 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.843 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.55 HG23 ' O ' ' A' ' 35' ' ' LYS . 43.4 p -138.04 45.96 2.09 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.112 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -176.33 158.44 1.86 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.88 179.851 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -77.9 119.48 21.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.871 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 59.41 55.96 3.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.9 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -60.81 -167.23 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.898 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 4.7 ttpt -113.39 113.62 25.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.813 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . 0.472 ' O ' HG23 ' A' ' 44' ' ' THR . 0.1 OUTLIER -116.93 -169.95 1.74 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.856 179.916 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.472 HG23 ' O ' ' A' ' 43' ' ' CYS . 0.0 OUTLIER -177.29 156.58 1.24 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.105 -179.794 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.446 HG22 HG22 ' A' ' 52' ' ' VAL . 87.8 t -150.25 143.97 17.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.111 179.868 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.746 ' HB2' ' HB3' ' A' ' 51' ' ' ALA . 0.8 OUTLIER -116.47 130.03 56.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.85 179.958 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.718 ' OG1' ' HB3' ' A' ' 1' ' ' ALA . 0.1 OUTLIER -73.69 -18.77 60.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.151 -179.887 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 9.2 t80 -51.69 -54.39 28.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.878 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 12.4 p-10 -151.28 39.11 0.66 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.913 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 50.77 54.33 11.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.871 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.746 ' HB3' ' HB2' ' A' ' 46' ' ' ASP . . . -90.64 89.16 7.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.116 179.833 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.446 HG22 HG22 ' A' ' 45' ' ' VAL . 21.6 t -82.66 141.29 15.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.092 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -127.87 137.24 52.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.902 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 15.7 p -96.84 156.53 16.31 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.963 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 37.2 t70 . . . . . 0 C--N 1.327 -0.376 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.897 -179.96 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.526 ' HB3' ' OG1' ' A' ' 47' ' ' THR . . . . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.791 0.329 . . . . 0.0 111.112 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 19.6 mtpt -143.12 165.51 27.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.95 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 51.8 m-85 -149.11 147.58 28.66 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.035 0.445 . . . . 0.0 110.865 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.5 p -102.37 144.77 30.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.113 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -175.32 135.68 3.12 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.447 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.74 173.71 6.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.7 0.286 . . . . 0.0 110.877 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 59.7 m -126.72 154.86 43.59 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.899 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 6.4 p -108.36 145.1 35.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.191 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 6.8 mtmt -57.21 -25.99 59.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.952 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 53.5 p -100.19 17.85 20.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.848 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.0 mttp -179.37 108.67 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.832 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 27.5 t30 -89.33 76.09 7.62 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.891 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 22.6 pt-20 -139.58 153.94 47.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.827 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 3.4 t -87.79 102.43 14.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.892 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -88.68 64.6 7.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.892 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 32.8 p90 -96.62 177.82 5.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.921 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 21.2 mtmt -119.26 141.22 49.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.928 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -126.18 169.22 13.05 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.893 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 13.1 t70 72.21 -69.44 0.19 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.859 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -173.85 40.88 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.154 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 111.96 15.23 10.18 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.515 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -80.04 113.82 18.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.811 0.339 . . . . 0.0 110.85 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -51.87 128.9 25.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.942 179.828 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 97.1 m -138.28 132.09 31.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.112 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 54.4 m-85 -127.68 136.34 51.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.934 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.409 ' O ' HG23 ' A' ' 26' ' ' ILE . 6.1 tp -157.34 123.06 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.111 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 12.2 pttt -58.46 132.65 54.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.843 179.839 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 20.1 m -87.43 153.24 53.26 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.624 0.726 . . . . 0.0 110.87 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 76.68 1.13 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.7 2.266 . . . . 0.0 112.348 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.5 mmtt -151.11 46.53 0.83 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.893 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 49.4 p90 -80.41 129.66 34.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.877 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 26.7 m-20 51.48 61.99 2.94 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.828 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 -179.38 -34.75 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.941 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -174.81 56.23 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.87 179.867 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 12.5 mtpt -79.88 56.98 2.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.867 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 36.5 t 64.54 145.02 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.885 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 6.9 p -154.83 37.62 0.41 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.13 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -177.96 131.75 0.15 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.887 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -51.79 120.57 5.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.879 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 62.38 75.66 0.39 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.855 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -79.06 -166.13 0.87 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.834 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 6.0 tttp -117.94 114.85 23.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.911 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . 0.451 ' O ' HG23 ' A' ' 44' ' ' THR . 0.0 OUTLIER -128.44 -172.0 2.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.877 -179.958 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.451 HG23 ' O ' ' A' ' 43' ' ' CYS . 0.0 OUTLIER -174.29 160.79 3.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.177 -179.878 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 96.8 t -147.18 144.03 19.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.116 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.457 ' HB2' ' HB3' ' A' ' 51' ' ' ALA . 0.1 OUTLIER -118.69 143.6 46.75 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.86 179.858 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.526 ' OG1' ' HB3' ' A' ' 1' ' ' ALA . 0.9 OUTLIER -83.3 -16.61 45.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.137 -179.901 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 61.8 t80 -51.67 -56.93 10.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.939 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 45.2 p-10 -150.38 39.01 0.72 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.899 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 50.93 56.14 8.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.847 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.457 ' HB3' ' HB2' ' A' ' 46' ' ' ASP . . . -82.11 91.33 6.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.161 179.85 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 94.0 t -80.06 108.4 13.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.091 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -85.95 -172.42 4.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.873 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 16.7 p -154.31 157.75 39.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.877 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 11.1 t70 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.892 -179.928 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.824 0.345 . . . . 0.0 111.13 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -175.53 152.86 1.39 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.916 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.59 ' CE2' HG22 ' A' ' 47' ' ' THR . 16.5 m-85 -129.95 142.22 50.67 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.942 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.579 HG23 HG23 ' A' ' 44' ' ' THR . 4.0 m -127.74 158.1 38.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.109 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 179.75 -144.95 6.27 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.5 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 10.1 mtpt -145.79 -175.26 4.67 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.824 0.345 . . . . 0.0 110.853 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 60.4 m -144.53 162.23 37.1 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.835 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 16.2 p -112.43 135.12 53.52 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.183 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.65 -30.4 67.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.934 179.88 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 83.4 p -80.42 -24.65 39.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.826 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.58 107.13 5.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.927 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 27.4 t30 -79.92 74.83 6.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.877 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -136.52 134.98 38.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.891 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.419 ' SG ' HG13 ' A' ' 52' ' ' VAL . 0.1 OUTLIER -70.75 103.85 2.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.884 -179.929 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -95.36 55.16 1.7 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.87 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.401 ' OH ' HG21 ' A' ' 24' ' ' THR . 37.3 p90 -79.77 -179.92 7.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.964 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -122.04 138.64 54.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.888 179.891 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -125.01 171.82 9.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.905 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 6.0 t70 72.1 -69.49 0.19 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.983 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -178.36 40.02 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.08 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 117.7 11.23 8.7 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.832 -0.699 . . . . 0.0 112.509 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -85.07 121.44 27.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.79 0.329 . . . . 0.0 110.9 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -51.61 142.91 13.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.866 179.853 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.401 HG21 ' OH ' ' A' ' 16' ' ' TYR . 3.6 m -147.08 132.04 18.15 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.139 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 13.4 m-85 -133.24 147.61 51.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.857 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.485 ' O ' HG23 ' A' ' 26' ' ' ILE . 6.1 tt -168.97 37.82 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.172 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 8.8 mttt 55.08 178.18 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.905 179.832 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -129.91 147.83 67.1 Favored Pre-proline 0 C--N 1.327 -0.382 0 CA-C-O 121.651 0.739 . . . . 0.0 110.815 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 71.43 1.51 Allowed 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.688 2.259 . . . . 0.0 112.401 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 15.0 mmtt -140.24 66.16 1.4 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.89 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 27.0 m-85 -79.44 86.33 5.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.845 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 51.52 85.55 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.87 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 6.6 t30 -179.88 -34.95 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.916 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 2.3 tptt -175.27 67.78 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.935 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.561 ' O ' HG23 ' A' ' 37' ' ' THR . 27.2 mttt -78.44 165.81 23.35 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.928 179.837 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 3.0 t -51.0 126.53 16.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.855 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.561 HG23 ' O ' ' A' ' 35' ' ' LYS . 73.0 p -131.18 39.87 3.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.173 -179.859 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 3.5 tttp -170.22 145.75 2.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.837 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -70.57 120.65 16.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.878 179.82 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 59.21 54.37 4.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.864 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -60.86 -168.38 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.858 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 9.4 ttpt -111.81 114.54 27.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.964 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . 0.493 ' O ' HG23 ' A' ' 44' ' ' THR . 14.2 p -122.44 179.85 4.44 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.894 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.579 HG23 HG23 ' A' ' 4' ' ' THR . 0.0 OUTLIER -178.64 130.57 0.12 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.157 -179.89 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.54 HG22 HG22 ' A' ' 52' ' ' VAL . 98.0 t -122.37 143.21 35.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.168 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 16.5 t0 -111.29 139.47 46.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.886 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.59 HG22 ' CE2' ' A' ' 3' ' ' TYR . 18.1 p -77.22 -11.99 59.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.102 -179.87 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 11.4 t80 -51.3 -54.67 23.9 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.928 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -152.28 39.47 0.58 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.843 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 51.03 43.63 28.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.894 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -84.21 96.97 9.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.095 179.819 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.54 HG22 HG22 ' A' ' 45' ' ' VAL . 84.5 t -79.93 144.1 11.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.167 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -138.64 106.1 5.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.859 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.4 t -93.24 167.48 11.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.871 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.9 t0 . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.858 -179.957 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.45 ' HB3' ' CG2' ' A' ' 47' ' ' THR . . . . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.83 0.348 . . . . 0.0 111.146 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.07 161.96 39.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.84 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 53.5 m-85 -150.04 133.25 16.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.921 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -99.9 124.22 44.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.221 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -137.86 -150.2 5.65 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.417 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -166.73 152.76 8.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.687 0.28 . . . . 0.0 110.881 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 68.8 m -111.7 156.9 21.16 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.87 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 7.0 p -107.93 140.79 40.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.107 -179.85 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.4 ptpt -57.08 -21.86 34.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.858 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 40.5 p -79.33 -22.41 44.57 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.91 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -160.35 123.21 3.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.892 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 36.1 t30 -79.48 73.73 6.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.884 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.1 pp20? -136.32 162.66 32.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.858 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 37.4 t -103.03 104.65 14.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.911 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 5.9 ptpt -94.79 56.77 2.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.91 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 17.4 p90 -86.24 -173.14 4.41 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.876 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.92 130.62 45.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.865 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -118.33 173.27 6.91 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.847 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 13.1 t0 72.15 -69.5 0.19 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.891 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -175.75 39.99 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.074 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 113.89 14.48 9.31 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.437 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.57 109.19 15.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.787 0.327 . . . . 0.0 110.869 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -54.0 122.85 10.99 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.853 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 98.8 m -129.06 134.4 48.09 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.116 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 50.8 m-85 -122.98 136.76 54.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.894 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.402 HG23 ' O ' ' A' ' 26' ' ' ILE . 6.0 tp -160.44 122.81 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.064 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.07 129.93 44.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.906 179.846 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 20.0 m -81.27 153.34 71.56 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.588 0.708 . . . . 0.0 110.871 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 86.63 0.57 Allowed 'Trans proline' 0 N--CA 1.464 -0.222 0 C-N-CA 122.726 2.284 . . . . 0.0 112.386 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 31.9 mmtt -143.94 66.9 1.28 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.89 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 15.1 m-85 -82.77 74.41 9.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.889 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 63.48 87.27 0.11 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.879 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -178.36 -35.53 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.852 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -175.54 58.56 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.87 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 40.5 mtpt -79.97 159.2 26.37 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.858 179.846 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 20.5 p -52.04 153.18 2.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.838 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 12.6 t -158.47 38.94 0.24 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.175 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 18.7 ttmt 179.5 126.42 0.07 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.862 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -51.68 124.31 12.04 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.86 179.876 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . 0.43 ' N ' HD22 ' A' ' 40' ' ' ASN . 1.4 m-80 59.58 70.88 0.61 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.868 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -92.4 -79.01 0.4 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.93 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 11.5 tttm 179.05 142.52 0.12 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.869 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 2.8 t -154.02 163.09 40.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.877 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -148.64 150.72 33.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.142 -179.89 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 97.5 t -150.16 119.09 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.059 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.496 ' HB2' ' HB3' ' A' ' 51' ' ' ALA . 2.9 m-20 -103.65 153.16 20.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.939 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.45 ' CG2' ' HB3' ' A' ' 1' ' ' ALA . 81.5 p -89.64 -16.35 30.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.095 -179.883 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 71.5 t80 -51.59 -55.11 21.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.904 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 46.5 p30 -149.84 39.08 0.77 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.879 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 7.3 m120 50.61 57.88 6.14 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.843 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.496 ' HB3' ' HB2' ' A' ' 46' ' ' ASP . . . -81.25 82.84 7.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.105 179.85 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 43.4 t -80.01 95.16 2.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.139 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -81.29 -172.59 3.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.909 179.885 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -166.68 143.79 4.89 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.887 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.837 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.401 ' O ' HG23 ' A' ' 47' ' ' THR . . . . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.896 0.379 . . . . 0.0 111.128 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 36.7 mtmt -79.92 171.88 14.53 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.875 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 31.7 m-85 -146.69 177.8 8.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.919 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.519 ' CG2' HG23 ' A' ' 44' ' ' THR . 0.0 OUTLIER -157.39 150.82 23.88 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.158 179.97 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -159.53 -168.97 22.26 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.484 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 10.7 mttt -146.02 145.73 30.7 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.739 0.304 . . . . 0.0 110.951 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 87.9 m -88.35 173.91 8.46 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.819 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 18.0 p -124.81 47.45 2.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.145 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 10.2 mttt 63.92 -82.69 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.925 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 91.3 p -62.92 -48.45 78.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.837 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.44 91.38 8.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.876 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 48.1 t30 -78.58 59.12 2.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.892 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 20.5 pt-20 -118.22 151.23 38.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.914 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 39.8 t -89.13 117.84 28.41 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.921 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -101.79 100.74 11.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.939 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 31.3 p90 -132.3 177.32 7.67 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.86 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 2.1 ttmt -107.98 132.79 53.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.886 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -129.25 163.6 25.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.926 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.416 ' O ' ' HB2' ' A' ' 20' ' ' ALA . 6.9 t70 71.41 -72.08 0.12 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.797 179.813 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.416 ' HB2' ' O ' ' A' ' 19' ' ' ASP . . . 178.64 39.89 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.06 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 129.72 -1.28 5.94 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.578 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.1 mtpp -80.02 129.76 34.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.724 0.297 . . . . 0.0 110.892 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -76.28 144.74 40.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.831 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 88.5 m -136.77 129.39 30.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.134 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 45.9 m-85 -131.62 123.37 27.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.881 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.432 ' O ' HG23 ' A' ' 26' ' ' ILE . 2.8 tt -146.93 118.71 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.118 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.0 123.95 16.96 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.927 179.786 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 8.0 m -75.95 153.95 84.84 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.599 0.714 . . . . 0.0 110.926 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 95.47 0.56 Allowed 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.736 2.291 . . . . 0.0 112.388 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 26.9 mmtm -152.13 64.64 0.83 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.876 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 23.6 m-85 -90.66 102.46 15.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.936 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 51.77 75.52 0.21 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.851 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 38.3 t-20 -174.46 -36.58 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.871 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -176.27 64.86 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.897 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 2.5 mttp -79.38 170.58 16.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.858 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 11.8 t -72.25 153.79 41.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.936 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 9.0 p -154.29 41.25 0.48 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.153 -179.829 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 27.0 tttm 179.95 120.27 0.06 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.866 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -50.13 124.62 10.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.857 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 60.12 67.2 0.88 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.845 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -84.49 -78.45 0.24 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.944 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 5.3 tttt -179.44 138.49 0.14 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.858 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -148.2 157.59 43.58 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.844 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.519 HG23 ' CG2' ' A' ' 4' ' ' THR . 0.0 OUTLIER -153.64 150.18 28.34 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.113 -179.862 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.479 HG22 HG13 ' A' ' 52' ' ' VAL . 69.2 t -148.78 141.35 18.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.173 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -122.16 158.72 28.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.913 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.401 HG23 ' O ' ' A' ' 1' ' ' ALA . 19.5 p -96.02 -7.47 36.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.163 -179.892 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 62.1 t80 -51.72 -52.73 46.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.95 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.415 ' OD1' ' HB2' ' A' ' 51' ' ' ALA . 39.3 p-10 -150.12 39.12 0.75 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.907 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 50.83 48.09 23.49 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.912 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.415 ' HB2' ' OD1' ' A' ' 49' ' ' ASN . . . -88.84 115.45 26.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.137 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.479 HG13 HG22 ' A' ' 45' ' ' VAL . 21.7 t -104.93 103.91 16.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.09 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -79.73 169.18 18.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.943 179.88 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -134.14 163.16 30.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.837 -179.872 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.867 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.086 0 CA-C-O 120.828 0.347 . . . . 0.0 111.102 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 41.0 mttt -145.49 165.55 28.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 -146.19 152.81 39.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.945 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 14.9 t -139.6 140.1 36.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.166 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -156.89 -146.89 4.6 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.487 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 6.4 mttm -145.96 169.68 18.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.855 0.36 . . . . 0.0 110.846 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 59.6 m -119.3 154.58 33.29 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.832 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.7 t -109.59 141.37 42.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.145 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 13.4 ptmm? -60.11 -24.07 64.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.932 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 93.0 p -79.29 -18.29 52.96 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.896 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -160.53 117.54 2.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.852 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 54.5 t30 -79.58 58.27 2.67 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.892 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 21.6 pt-20 -129.07 133.25 47.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.868 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 2.1 p -58.62 147.69 31.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.861 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.53 82.02 1.98 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.881 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 7.5 p90 -121.79 -169.81 1.94 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.932 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 7.1 pttt -125.38 118.49 26.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.843 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -109.78 160.02 16.69 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.895 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 14.7 t0 72.05 -69.66 0.18 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.798 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -176.36 49.26 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.077 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 99.27 20.04 19.17 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.496 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -79.73 131.01 35.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.774 0.321 . . . . 0.0 110.907 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -67.84 122.95 19.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.886 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 98.1 m -147.99 129.8 15.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.144 -179.841 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 40.0 m-85 -137.35 127.21 25.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.87 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 2.6 tt -136.25 137.07 48.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.156 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 5.1 mtpt -69.05 134.0 48.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.862 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 14.5 m -84.18 153.73 63.04 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.56 0.695 . . . . 0.0 110.913 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 66.87 1.78 Allowed 'Trans proline' 0 C--O 1.231 0.129 0 C-N-CA 122.69 2.26 . . . . 0.0 112.317 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.3 mptp? -139.96 45.68 1.88 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.894 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 27.1 m-85 -77.55 97.25 4.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.863 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 64.68 41.46 5.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.859 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 19.8 t30 -135.58 -50.0 0.72 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.846 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 4.1 tttt -177.03 55.02 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.903 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 15.1 ptpt -79.63 173.0 13.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.865 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 26.1 t -52.4 151.94 3.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.853 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 11.9 t -139.39 39.74 2.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.184 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -179.39 173.4 1.1 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.898 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -83.06 102.98 12.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.886 179.824 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.7 m120 63.69 77.47 0.32 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.861 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 6.0 m-20 -87.08 -79.64 0.27 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.83 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 12.0 tttt -179.12 142.83 0.2 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.911 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 16.9 p -168.8 169.24 10.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.892 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -144.0 164.72 29.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.169 -179.779 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.404 HG22 HG13 ' A' ' 52' ' ' VAL . 94.6 t -150.18 143.7 17.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.154 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.595 ' HB2' ' HB3' ' A' ' 51' ' ' ALA . 2.8 m-20 -122.74 162.35 22.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.849 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -107.92 -17.72 13.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.166 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 4.9 t80 -51.54 -52.42 47.18 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.906 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 47.6 t30 -151.55 39.3 0.64 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.917 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 50.7 72.5 0.34 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.889 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.595 ' HB3' ' HB2' ' A' ' 46' ' ' ASP . . . -109.74 104.71 13.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.072 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.404 HG13 HG22 ' A' ' 45' ' ' VAL . 21.4 t -106.36 150.32 9.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.147 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -134.33 -177.04 4.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.825 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 16.3 p -148.97 165.24 32.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.923 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 20.2 t0 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.866 -179.963 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.668 ' HB3' HG21 ' A' ' 47' ' ' THR . . . . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.757 0.313 . . . . 0.0 111.138 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -155.78 170.44 22.07 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.859 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 22.1 m-85 -146.09 163.86 33.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.861 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -148.93 140.93 23.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.175 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -174.96 -157.82 17.37 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.504 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.56 165.37 27.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.76 0.314 . . . . 0.0 110.909 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 10.6 p -114.99 160.55 19.44 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.866 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 6.6 p -105.82 160.65 15.08 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.058 -179.794 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -65.99 -30.73 71.33 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.937 179.862 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 17.4 p -65.92 -20.91 66.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.871 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.1 tmtt? -174.09 127.95 0.37 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.867 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 45.7 t-20 -79.86 67.3 5.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.843 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -119.36 142.19 48.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.845 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 36.0 t -78.36 105.44 9.61 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.884 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -91.97 72.28 5.59 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.835 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 13.8 p90 -103.7 -170.11 1.73 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.922 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -135.18 127.71 30.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.864 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -114.87 166.42 11.79 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.885 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 5.9 t70 71.99 -69.42 0.19 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.916 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -178.17 61.05 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.135 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 90.68 19.54 43.89 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.444 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.83 121.63 25.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.791 0.329 . . . . 0.0 110.932 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -58.38 116.81 3.86 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.877 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 98.2 m -136.83 131.3 33.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.139 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 51.7 m-85 -131.23 129.57 41.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.411 HG23 ' O ' ' A' ' 26' ' ' ILE . 10.5 tt -140.88 122.61 14.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.138 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -56.23 140.16 45.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.897 179.869 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 17.0 m -104.53 153.37 39.2 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.706 0.765 . . . . 0.0 110.867 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 128.37 15.93 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.732 2.288 . . . . 0.0 112.325 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.39 46.21 1.05 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.914 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 28.3 m-85 -79.13 84.16 5.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.841 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 51.75 39.24 25.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.842 179.88 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 9.3 t-20 -125.3 -35.79 2.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.837 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.4 mmtt 178.25 75.49 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.853 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.2 mttm -77.45 131.02 37.77 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.958 179.784 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 14.7 p -51.15 145.85 7.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.897 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 8.7 p -154.31 39.01 0.45 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.106 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 178.08 127.42 0.05 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.874 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -48.24 126.4 11.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.852 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 59.61 72.06 0.55 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.874 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -89.7 -79.63 0.33 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.927 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 179.35 144.55 0.16 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.863 179.854 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 28.8 p -169.65 147.57 3.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.889 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -132.1 158.88 40.49 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.099 -179.806 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 93.2 t -150.24 137.74 13.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.201 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -117.54 157.33 26.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.879 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.668 HG21 ' HB3' ' A' ' 1' ' ' ALA . 26.4 p -98.95 -9.55 23.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.096 -179.849 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 70.7 t80 -51.76 -51.29 57.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.841 -179.874 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 38.2 p30 -149.41 39.03 0.8 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.905 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 50.6 59.81 4.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.846 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -91.46 140.51 29.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.107 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 16.0 t -133.41 128.62 55.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.147 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -120.81 170.25 9.65 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.823 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 20.6 p -127.34 166.12 18.43 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.891 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 9.7 t0 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.84 -179.93 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.477 ' HB3' HG21 ' A' ' 47' ' ' THR . . . . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.842 0.354 . . . . 0.0 111.099 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 37.3 mtpt -153.6 173.79 15.31 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.939 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.539 ' CE2' HG22 ' A' ' 47' ' ' THR . 27.1 m-85 -142.95 115.55 8.62 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.994 0.425 . . . . 0.0 110.932 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 15.0 t -104.02 138.18 40.93 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.095 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -163.61 -155.84 8.41 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.419 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 19.8 mtpp -138.78 -172.29 3.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.766 0.317 . . . . 0.0 110.933 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -125.67 -176.18 3.54 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.921 179.9 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 2.2 t -146.47 137.39 24.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.123 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.8 mtpm? -53.9 -30.33 45.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.906 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 12.5 p -60.01 -24.12 64.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.855 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -175.46 130.54 0.27 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.941 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 13.3 t30 -78.51 70.12 4.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.869 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 21.1 pt-20 -127.26 139.39 52.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.889 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 34.9 t -60.77 135.49 57.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.892 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 6.1 ttpp -123.11 97.13 5.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.866 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.511 ' OH ' HG21 ' A' ' 24' ' ' THR . 24.3 p90 -127.55 176.94 7.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.963 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.43 128.81 52.54 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.937 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -119.39 167.72 11.65 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.833 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 24.4 t0 71.99 -69.56 0.18 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.869 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -171.48 41.51 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.068 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 109.15 17.04 10.47 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.538 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 3.5 tmtt? -83.16 112.72 20.09 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.748 0.309 . . . . 0.0 110.952 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -54.73 123.62 13.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.828 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.511 HG21 ' OH ' ' A' ' 16' ' ' TYR . 89.9 m -132.24 145.62 51.44 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.156 -179.881 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 12.5 m-85 -140.75 160.93 38.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.828 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.493 ' O ' HG23 ' A' ' 26' ' ' ILE . 2.2 tt -169.84 39.67 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.154 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.453 ' HG2' ' O ' ' A' ' 26' ' ' ILE . 0.0 OUTLIER 56.56 172.45 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.917 179.898 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -131.63 149.87 74.7 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.636 0.731 . . . . 0.0 110.849 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.66 84.64 0.63 Allowed 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.728 2.286 . . . . 0.0 112.38 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 39.1 mmtm -153.31 60.96 0.76 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.846 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 37.0 m-85 -79.89 93.05 5.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.878 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 51.26 82.05 0.06 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.902 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 5.8 t30 179.82 -34.68 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.902 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.9 mttt -169.59 67.2 0.06 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.898 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.72 154.3 32.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.941 179.837 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 49.3 t -50.97 145.64 7.08 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.836 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 8.6 p -154.3 40.34 0.47 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.173 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 179.02 120.9 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.881 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -49.73 125.45 11.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.832 179.891 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 57.3 69.22 0.76 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.909 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 6.2 m-20 -83.88 -80.74 0.18 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.896 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 1.5 ttmt -179.71 143.67 0.19 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.868 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . 0.497 ' O ' HG23 ' A' ' 44' ' ' THR . 12.2 m -151.1 176.93 10.69 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.921 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.497 HG23 ' O ' ' A' ' 43' ' ' CYS . 0.0 OUTLIER -178.38 145.88 0.35 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.128 -179.877 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 92.7 t -147.34 142.34 19.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.078 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -112.88 131.31 55.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.847 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.539 HG22 ' CE2' ' A' ' 3' ' ' TYR . 68.2 p -64.98 -15.53 62.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.115 -179.893 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 80.8 t80 -51.69 -57.2 9.88 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.904 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 52.5 p-10 -151.4 39.23 0.65 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.897 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 50.78 46.58 25.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.896 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -79.86 96.63 6.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.154 179.866 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 21.4 t -79.95 150.35 4.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.106 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -146.78 90.83 1.95 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.877 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -63.01 177.2 0.61 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.877 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 43.9 t0 . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.86 -179.984 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.585 ' HB3' HG21 ' A' ' 47' ' ' THR . . . . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.907 0.384 . . . . 0.0 111.046 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.98 169.12 22.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.904 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 12.5 m-85 -145.63 171.37 14.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.895 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -150.74 166.54 30.13 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.128 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 168.67 176.84 39.2 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.407 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.5 mttm -115.36 169.52 9.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.794 0.331 . . . . 0.0 110.91 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -101.2 -179.02 3.92 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.86 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -135.46 132.1 36.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.134 -179.866 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 21.4 mtmt -53.72 -31.86 49.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.948 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 43.6 p -81.76 -25.01 35.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.884 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.91 114.39 5.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.873 179.871 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 35.7 t30 -80.0 73.67 6.78 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.949 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 18.4 pt-20 -138.2 155.68 48.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.947 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 37.5 t -90.85 113.67 25.9 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.882 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.73 100.87 12.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.905 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 35.1 p90 -133.0 176.89 8.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.906 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 2.4 ttmt -108.57 134.14 51.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.909 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.4 ' O ' ' HB3' ' A' ' 19' ' ' ASP . 0.2 OUTLIER -131.27 178.16 6.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.898 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.4 ' HB3' ' O ' ' A' ' 18' ' ' ASN . 25.9 t70 64.15 -81.72 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.857 179.882 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -170.76 47.82 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.127 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 114.34 9.31 15.36 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.516 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 41.3 tttp -87.1 143.02 27.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.786 0.327 . . . . 0.0 110.866 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -87.3 143.2 27.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.87 179.814 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 97.1 m -146.44 134.88 21.96 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.13 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 55.8 m-85 -128.07 117.33 21.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.919 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.401 HG23 ' O ' ' A' ' 26' ' ' ILE . 6.1 tp -123.44 123.92 68.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.145 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 25.1 mttp -77.24 117.57 18.89 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.904 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 19.5 m -68.87 153.26 96.22 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.616 0.722 . . . . 0.0 110.938 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 68.24 1.7 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.7 2.267 . . . . 0.0 112.37 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 20.7 mmtp -144.3 54.61 1.27 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.889 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 26.3 p90 -99.78 41.06 1.18 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.894 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 174.73 -25.89 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.899 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -102.17 -17.45 15.98 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.931 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -179.58 72.71 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.931 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.41 50.41 1.1 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.892 179.879 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 8.2 t 62.12 159.25 0.06 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.852 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 12.6 t -174.81 38.91 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.137 -179.869 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.5 ttmt 176.93 118.01 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.941 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -49.49 113.01 0.73 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.89 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.4 m120 64.35 71.58 0.47 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.911 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -81.76 -79.48 0.17 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.858 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 5.5 tttt -179.43 143.6 0.2 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.888 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -153.67 171.14 19.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.896 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -158.46 150.51 21.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.16 -179.857 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 88.1 t -148.75 137.62 15.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.204 179.85 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -123.77 158.64 31.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.818 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.585 HG21 ' HB3' ' A' ' 1' ' ' ALA . 55.8 p -93.54 -9.07 39.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.094 -179.898 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 5.0 t80 -51.69 -56.63 12.57 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.938 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 6.6 t30 -151.48 39.25 0.64 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.87 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 50.91 56.53 7.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.907 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -88.36 108.56 19.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.102 179.864 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 21.9 t -102.54 113.02 37.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.104 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -106.42 178.07 4.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.843 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -142.07 176.86 8.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.918 -179.858 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 44.5 t0 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.886 179.996 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.447 ' HB3' ' OG1' ' A' ' 47' ' ' THR . . . . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.867 0.365 . . . . 0.0 111.136 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 2.9 mtpm? -79.91 160.14 26.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.889 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.632 ' O ' HG22 ' A' ' 44' ' ' THR . 51.6 m-85 -138.11 132.92 32.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.926 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -86.26 128.47 34.92 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.129 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -159.15 173.08 35.95 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.516 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.5 169.6 17.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.757 0.313 . . . . 0.0 110.944 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 6.0 p -137.64 156.38 48.11 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.937 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.673 HG23 ' H ' ' A' ' 11' ' ' LYS . 3.8 t -98.35 148.25 23.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.16 -179.877 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.37 -21.86 38.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.933 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 4.8 p -87.58 -20.21 26.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.829 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.673 ' H ' HG23 ' A' ' 8' ' ' THR . 1.3 tppt? -145.62 112.49 6.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.877 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 52.1 t30 -81.52 56.89 3.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.871 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -118.8 141.49 48.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.919 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 34.4 t -84.62 113.98 21.66 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.934 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.75 76.27 2.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.874 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 46.1 p90 -104.71 174.78 5.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.938 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -105.16 135.49 46.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.892 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -134.45 164.8 26.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.844 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.407 ' O ' ' HB2' ' A' ' 20' ' ' ALA . 19.4 t0 71.5 -71.66 0.13 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.828 179.852 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.407 ' HB2' ' O ' ' A' ' 19' ' ' ASP . . . 178.92 39.87 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.087 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 128.79 -1.3 6.33 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.517 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 5.1 mmtp -79.84 120.75 24.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.79 0.329 . . . . 0.0 110.869 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 26.5 m-20 -75.63 119.28 19.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.873 179.839 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 18.4 m -105.62 133.47 50.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.176 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 46.2 m-85 -129.49 122.34 29.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.848 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.433 ' O ' HG23 ' A' ' 26' ' ' ILE . 5.2 tp -152.68 117.83 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.092 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -52.72 129.36 29.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.947 179.816 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 7.0 m -79.37 154.07 76.68 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-O 121.612 0.72 . . . . 0.0 110.854 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 85.12 0.63 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.638 2.225 . . . . 0.0 112.362 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 7.9 mmtt -148.31 72.66 1.21 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.906 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.438 ' O ' ' N ' ' A' ' 33' ' ' ASN . 40.7 m-85 -73.11 -164.57 0.18 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.842 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -49.11 90.85 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.871 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.438 ' N ' ' O ' ' A' ' 31' ' ' PHE . 0.5 OUTLIER 177.65 -51.58 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.896 -179.88 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 8.1 mmtm -153.57 60.36 0.75 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.866 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.39 164.53 24.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.947 179.81 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 23.3 p -51.29 140.73 16.36 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.852 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 17.2 p -151.27 47.08 0.83 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.133 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.83 146.66 0.74 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.887 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -71.23 119.72 15.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.891 179.846 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 60.45 57.49 2.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.856 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -61.13 -166.85 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.86 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -110.86 113.17 25.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.925 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . 0.407 ' O ' HG23 ' A' ' 44' ' ' THR . 1.2 m -128.55 172.97 10.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.839 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.632 HG22 ' O ' ' A' ' 3' ' ' TYR . 0.1 OUTLIER -164.75 165.47 20.69 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.15 -179.939 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.4 HG13 ' O ' ' A' ' 51' ' ' ALA . 66.6 t -149.79 128.75 3.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.122 179.893 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.434 ' HB2' ' HB3' ' A' ' 51' ' ' ALA . 2.1 m-20 -106.46 124.47 49.65 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.864 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.447 ' OG1' ' HB3' ' A' ' 1' ' ' ALA . 0.8 OUTLIER -73.07 -13.47 61.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.154 -179.891 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 66.3 t80 -51.95 -45.73 64.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.879 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 79.3 m-20 -146.54 38.17 1.02 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.871 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 47.58 44.78 17.42 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.929 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.434 ' HB3' ' HB2' ' A' ' 46' ' ' ASP . . . -83.62 149.69 26.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.146 179.858 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 21.1 t -133.04 107.54 11.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.154 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -80.98 153.95 27.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.908 179.899 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -136.3 137.6 40.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.876 -179.883 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 7.8 t0 . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.832 -179.94 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.874 0.368 . . . . 0.0 111.113 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.2 173.21 16.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.915 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.506 ' O ' HG22 ' A' ' 44' ' ' THR . 45.2 m-85 -129.74 165.64 21.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.912 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 15.2 t -145.82 133.76 21.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.125 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -150.97 -138.62 2.86 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.484 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 9.3 mtmm -144.21 169.75 17.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.827 0.346 . . . . 0.0 110.908 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 2.1 p -135.8 150.28 49.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.811 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -89.38 147.31 24.12 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.146 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -55.11 -74.68 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.837 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 52.6 p -58.99 -34.75 72.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.861 -179.849 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.91 93.3 4.46 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.868 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 28.8 t30 -79.39 72.45 6.01 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.948 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -137.55 143.26 41.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.934 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 54.0 t -86.19 116.71 24.55 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.93 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -104.07 59.79 0.73 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.885 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 10.4 p90 -91.29 -172.62 3.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.95 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 17.0 mttp -126.81 126.71 43.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.879 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -115.01 168.27 10.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.86 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 6.3 t0 71.71 -70.24 0.16 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.855 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -179.16 39.9 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.074 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 122.02 7.66 7.73 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.546 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.83 107.91 12.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.787 0.327 . . . . 0.0 110.938 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -56.19 129.3 39.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.903 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 99.8 m -128.49 130.97 48.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.251 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 54.5 m-85 -128.7 118.39 22.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.85 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.452 ' O ' HG23 ' A' ' 26' ' ' ILE . 9.6 tt -147.0 109.19 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.191 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.36 131.61 28.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.902 179.891 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 10.2 m -74.08 152.84 88.58 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.638 0.732 . . . . 0.0 110.889 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 64.82 1.84 Allowed 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.68 2.254 . . . . 0.0 112.39 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.8 mptp? -142.18 45.23 1.66 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.896 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 19.0 m-85 -78.75 120.65 23.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.86 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 64.49 15.03 9.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.896 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 2.9 m-80 -127.88 -36.23 2.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.895 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 10.2 ttmt -175.58 64.05 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.855 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 21.3 mtpt -77.83 59.13 2.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.936 179.805 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 19.5 t 64.2 153.64 0.05 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.831 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 24.3 p -148.76 39.02 0.85 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.191 -179.868 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 177.98 130.2 0.06 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.955 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -50.34 123.26 8.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.884 179.881 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 50.22 52.79 14.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -60.23 -169.54 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.926 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 4.8 tttt -103.3 110.98 23.17 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.924 179.856 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 15.7 p -119.73 -170.0 1.87 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.902 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.506 HG22 ' O ' ' A' ' 3' ' ' TYR . 0.0 OUTLIER -169.3 158.43 8.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.111 -179.838 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 88.0 t -150.46 102.84 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.136 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.763 ' HB3' ' HB3' ' A' ' 51' ' ' ALA . 0.0 OUTLIER -86.55 141.51 28.99 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.802 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -88.94 -21.25 23.67 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.177 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 12.2 t80 -47.65 -46.91 29.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.95 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 36.7 t30 -152.93 38.08 0.51 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.858 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 47.11 68.48 0.63 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.845 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.763 ' HB3' ' HB3' ' A' ' 46' ' ' ASP . . . -99.12 103.58 15.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.088 179.888 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 19.7 t -97.47 130.76 45.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.105 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 75.9 m-20 -130.9 167.04 19.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.898 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 16.7 p -151.91 165.33 34.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.863 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.82 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.902 0.382 . . . . 0.0 111.078 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 2.3 pttt -142.38 166.41 24.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.943 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 69.8 m-85 -120.07 145.81 46.52 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.919 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 10.1 m -112.05 124.22 51.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.181 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -145.72 -138.27 3.21 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.453 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -162.43 176.47 10.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.766 0.317 . . . . 0.0 110.897 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -118.1 -176.85 3.14 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.88 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -125.78 134.84 51.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.138 -179.891 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 14.2 ptpt -54.05 -36.98 63.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.892 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 2.8 p -97.07 21.56 9.64 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.862 -179.88 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -179.51 104.99 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.864 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 45.6 t30 -79.87 62.73 4.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.933 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 17.9 pt-20 -131.24 136.01 47.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.89 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 2.5 p -62.63 147.4 49.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.924 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 3.4 ptmm? -134.23 75.03 1.57 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.928 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 8.4 p90 -117.16 -171.29 2.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.9 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 21.0 mttt -124.05 120.41 32.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.859 179.871 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -110.88 161.11 16.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.917 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 6.2 t70 71.83 -69.69 0.18 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.86 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -178.22 40.14 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.104 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 111.59 16.44 9.4 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.517 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -79.92 111.36 16.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.771 0.319 . . . . 0.0 110.896 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 32.7 m-20 -52.86 127.25 22.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.932 179.843 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 99.2 m -149.29 129.43 13.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.148 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 38.7 m-85 -135.4 124.62 24.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.931 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.41 HD12 ' N ' ' A' ' 27' ' ' LYS . 2.9 tp -137.48 128.66 39.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.112 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.41 ' N ' HD12 ' A' ' 26' ' ' ILE . 14.3 mttt -61.77 136.11 57.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.953 179.823 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 9.6 m -88.54 144.49 33.7 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.622 0.725 . . . . 0.0 110.904 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 64.84 1.81 Allowed 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.717 2.278 . . . . 0.0 112.332 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 11.5 mmtp -144.39 53.01 1.26 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.904 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 32.3 p90 -98.98 39.7 1.26 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.907 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 174.89 -26.16 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.899 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 9.5 m-20 -102.84 -16.36 15.93 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.848 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 3.2 tptt -176.01 69.83 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.93 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.673 ' O ' HG23 ' A' ' 37' ' ' THR . 0.2 OUTLIER -77.82 105.83 9.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.861 179.898 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 1.3 m -52.27 131.72 33.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.843 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.673 HG23 ' O ' ' A' ' 35' ' ' LYS . 21.0 p -138.94 39.87 2.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.116 -179.846 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.72 154.58 42.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.92 179.817 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -86.17 115.05 23.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.889 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 65.87 29.99 10.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.86 -179.887 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -51.44 -77.39 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.906 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 6.1 ttpt 179.78 148.71 0.29 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.916 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -162.88 172.46 15.1 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.876 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -159.3 155.56 27.1 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.092 -179.843 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 78.5 t -150.91 105.02 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.152 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.508 ' OD2' ' HB3' ' A' ' 51' ' ' ALA . 1.7 m-20 -88.84 121.02 30.78 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.913 179.881 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -73.3 -14.69 61.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.194 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 4.8 t80 -50.75 -48.68 59.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.927 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -151.27 38.8 0.65 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.861 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 49.5 59.78 4.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.888 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.508 ' HB3' ' OD2' ' A' ' 46' ' ' ASP . . . -104.78 105.87 16.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.073 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 12.3 t -100.47 141.75 16.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.108 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -118.8 -171.46 2.1 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.868 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -156.29 162.3 40.12 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.884 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 26.3 t0 . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.936 179.987 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.476 ' HB3' HG21 ' A' ' 47' ' ' THR . . . . . . . . 0 N--CA 1.456 -0.128 0 CA-C-O 120.867 0.365 . . . . 0.0 111.111 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -148.35 171.79 15.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.926 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.44 ' CE2' HG22 ' A' ' 47' ' ' THR . 17.4 m-85 -142.83 159.22 42.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.893 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 15.0 t -143.96 140.15 29.49 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.116 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -162.56 -163.46 15.34 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.513 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -146.7 155.78 42.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.775 0.322 . . . . 0.0 110.903 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 39.2 m -113.28 153.95 27.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.882 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.462 HG23 ' N ' ' A' ' 11' ' ' LYS . 14.6 t -100.74 164.63 11.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.08 -179.807 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 11.0 mtpt -66.8 -26.7 67.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.942 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 58.9 p -99.69 20.05 14.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.856 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.462 ' N ' HG23 ' A' ' 8' ' ' THR . 0.3 OUTLIER -179.95 113.3 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.878 179.969 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 51.8 t30 -94.47 62.31 2.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.844 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 22.4 pt-20 -128.0 142.79 51.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.846 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 17.1 t -81.0 110.07 16.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.942 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -89.44 68.59 7.89 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.92 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 32.0 p90 -103.74 177.61 4.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.987 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 9.0 mttp -121.79 139.39 53.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.943 179.86 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -123.59 169.7 11.18 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.842 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 20.0 t0 72.12 -69.47 0.19 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.867 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -175.51 41.34 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.133 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 113.82 13.47 10.24 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.528 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -80.0 112.9 17.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.774 0.321 . . . . 0.0 110.88 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -51.95 130.5 29.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.934 179.817 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 96.9 m -138.93 130.33 27.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.12 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 49.4 m-85 -130.49 133.01 45.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.882 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.417 ' O ' HG23 ' A' ' 26' ' ' ILE . 12.6 tt -156.41 121.14 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.115 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.4 mmtt -58.78 129.55 42.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.938 179.799 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.406 ' SG ' HG11 ' A' ' 52' ' ' VAL . 15.7 m -81.1 151.34 69.91 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.622 0.725 . . . . 0.0 110.859 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.68 72.24 1.42 Allowed 'Trans proline' 0 C--N 1.34 0.131 0 C-N-CA 122.727 2.285 . . . . 0.0 112.357 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.27 68.9 1.33 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.902 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.455 ' O ' ' N ' ' A' ' 33' ' ' ASN . 42.3 m-85 -73.11 -164.12 0.17 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.843 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -47.05 91.25 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.87 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.455 ' N ' ' O ' ' A' ' 31' ' ' PHE . 4.9 t30 175.87 -52.55 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.856 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 3.5 ttpt -149.38 56.12 0.98 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.95 179.834 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -79.28 174.13 11.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.911 179.859 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 10.2 t -67.67 149.78 49.58 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.888 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 40.1 p -146.43 39.92 1.09 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.173 -179.849 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 179.26 122.97 0.05 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.819 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -50.89 114.3 1.13 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.847 179.89 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 62.59 75.37 0.4 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.879 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -88.31 -79.38 0.3 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.874 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 7.5 tttt -179.47 130.89 0.1 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.891 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -138.87 -179.73 6.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.847 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -172.43 149.05 2.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.125 -179.875 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.501 HG22 HG22 ' A' ' 52' ' ' VAL . 97.3 t -149.04 138.82 16.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.166 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -114.95 146.56 41.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.847 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.476 HG21 ' HB3' ' A' ' 1' ' ' ALA . 48.2 p -82.11 -13.74 56.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.13 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 5.0 t80 -51.66 -55.35 19.92 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.932 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 3.9 t30 -151.47 39.22 0.64 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.928 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 50.78 46.26 26.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.899 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -83.51 108.3 16.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.121 179.866 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.501 HG22 HG22 ' A' ' 45' ' ' VAL . 20.7 t -99.81 150.69 5.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.084 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -129.09 175.6 8.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.825 179.874 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 16.6 p -137.04 156.21 48.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.918 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 48.0 t0 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.88 -179.916 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.848 0.356 . . . . 0.0 111.115 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 27.0 mttp -115.72 167.72 10.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.92 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 90.1 m-85 -142.62 128.1 18.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.937 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 15.2 t -81.11 134.55 35.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.15 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -171.02 -170.1 34.81 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.471 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.39 169.47 21.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.758 0.313 . . . . 0.0 110.955 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 18.9 m -118.53 167.26 11.78 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.904 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 8.3 p -119.4 147.26 44.57 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.157 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.16 -25.3 58.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.901 179.858 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.0 p -102.78 17.43 23.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.831 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -179.54 96.44 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.935 179.888 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 42.5 t30 -79.92 64.57 4.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.875 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 23.0 pt-20 -137.18 134.25 36.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.891 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.417 ' SG ' HG23 ' A' ' 45' ' ' VAL . 2.1 t -72.93 96.75 2.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.88 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 3.8 mtmt -81.19 61.82 4.88 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.859 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 29.1 p90 -96.57 178.82 5.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.915 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 8.5 ptpt -122.03 139.51 53.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.878 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -126.79 168.58 14.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.825 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 6.2 t70 72.02 -69.75 0.18 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.863 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -178.47 56.62 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.103 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 93.89 20.28 31.59 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.471 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.7 156.71 27.42 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.804 0.335 . . . . 0.0 110.917 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -89.74 112.41 23.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.859 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 96.2 m -137.37 124.79 21.99 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.075 -179.833 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 36.1 m-85 -125.4 147.58 49.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.87 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.436 ' O ' HG23 ' A' ' 26' ' ' ILE . 4.7 tp -158.5 115.07 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.121 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 7.1 ttmm -64.35 112.36 3.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.857 179.808 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.541 ' HA ' HG11 ' A' ' 52' ' ' VAL . 56.5 m -51.8 152.77 4.86 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-O 121.599 0.714 . . . . 0.0 110.928 179.892 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.565 ' HD2' HG13 ' A' ' 52' ' ' VAL . 54.2 Cg_endo -69.77 75.31 1.22 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.665 2.243 . . . . 0.0 112.361 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 6.1 mmtp -144.0 68.39 1.27 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.865 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 2.8 p90 -96.54 88.32 4.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.847 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 9.5 t70 64.09 68.21 0.57 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.835 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 10.2 t30 -162.33 -49.72 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.922 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -176.88 55.47 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.879 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.61 174.86 11.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.871 179.876 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 37.7 t -51.47 149.49 4.24 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.832 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 38.9 p -136.74 39.68 2.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.163 -179.866 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -177.85 178.44 0.97 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.902 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -90.74 118.37 30.12 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.847 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 54.08 70.66 0.58 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.937 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 -79.89 -82.62 0.11 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.957 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 22.8 tttt 177.67 119.11 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.894 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 65.4 m -145.88 163.95 33.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.796 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 12.6 p -154.21 115.93 4.19 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.063 -179.865 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.548 HG22 ' HB ' ' A' ' 52' ' ' VAL . 39.1 t -87.17 141.08 14.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.134 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 63.9 t0 -117.32 110.47 18.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.839 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -68.64 -11.92 60.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.156 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 48.3 t80 -51.61 -55.19 20.69 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.91 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 34.9 p30 -150.76 39.83 0.72 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.896 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 4.9 m120 52.18 59.0 4.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.896 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -123.94 86.22 2.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.119 179.859 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.565 HG13 ' HD2' ' A' ' 29' ' ' PRO . 7.4 p -87.93 147.09 5.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.119 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -108.75 164.25 12.54 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.862 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 21.8 t -144.09 153.84 42.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.913 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.1 t70 . . . . . 0 C--N 1.328 -0.364 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.841 179.987 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.779 0.323 . . . . 0.0 111.135 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 12.6 mttt -85.29 139.78 31.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.929 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 9.1 m-30 -101.0 135.87 41.75 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.01 0.433 . . . . 0.0 110.881 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 28.3 m -79.73 95.05 5.86 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.181 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -111.48 177.67 19.07 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.489 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 16.7 mtpt -143.98 157.22 44.48 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.728 0.299 . . . . 0.0 110.906 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 5.8 p -128.26 155.17 45.0 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.877 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -97.25 147.72 23.84 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.039 -179.779 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 12.7 mtmt -53.21 -65.56 0.54 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.936 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.1 p -57.42 -47.56 81.42 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.805 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -110.97 96.7 6.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.893 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 62.5 t30 -79.21 76.45 5.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.937 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -131.64 149.8 52.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.884 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -79.8 116.38 19.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.86 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 15.6 tttt -118.7 91.19 3.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.859 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 12.8 p90 -126.89 175.51 7.99 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.942 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 13.2 ttpt -100.97 116.03 31.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.907 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -118.14 157.83 26.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.879 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 6.0 t70 71.67 -70.92 0.14 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.889 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -179.41 40.99 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.118 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 110.63 16.79 9.73 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.446 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 12.5 mmtt -79.73 108.58 13.4 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.738 0.304 . . . . 0.0 110.888 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -59.9 96.96 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.92 179.817 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 83.3 m -119.02 132.6 56.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.14 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 45.5 m-85 -122.64 144.33 49.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.821 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.42 ' O ' HG23 ' A' ' 26' ' ' ILE . 1.0 OUTLIER -156.67 120.22 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.17 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 10.4 mttt -50.37 151.94 2.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.862 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 56.2 m -114.77 157.07 44.02 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.675 0.75 . . . . 0.0 110.89 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 143.59 51.21 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.668 2.245 . . . . 0.0 112.328 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -163.61 49.91 0.14 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.898 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 3.6 p90 -79.52 62.24 3.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.86 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 66.37 64.77 0.5 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.827 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 179.88 -32.81 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.933 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -135.41 49.66 2.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.891 179.826 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 2.7 mttp -79.13 130.33 35.39 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.905 179.833 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 7.7 t -61.61 137.04 58.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.941 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 7.2 p -154.79 41.22 0.45 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.147 -179.853 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -179.82 125.5 0.08 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.848 179.902 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -50.72 122.04 6.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.825 179.871 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 61.15 62.19 1.44 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.864 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -70.48 -164.36 0.08 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.862 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 1.9 ttpt -106.74 110.01 22.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.87 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 1.3 m -107.94 -176.69 3.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.86 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -157.56 143.17 17.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.102 -179.85 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 75.8 t -147.5 106.62 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.094 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.658 ' CB ' ' HB3' ' A' ' 51' ' ' ALA . 4.5 t0 -79.97 145.24 32.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.928 179.863 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 19.0 p -90.63 -19.97 23.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.102 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 27.0 t80 -51.75 -47.75 63.97 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.901 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 34.7 p30 -155.02 39.75 0.42 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.94 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 4.7 m120 51.2 59.43 4.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.854 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.658 ' HB3' ' CB ' ' A' ' 46' ' ' ASP . . . -85.0 91.72 8.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.135 179.831 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 18.7 t -81.18 137.27 21.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.12 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -150.36 124.72 9.53 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.794 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.7 t -86.29 167.04 15.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.84 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.912 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.889 0.376 . . . . 0.0 111.085 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 34.4 mtmt -134.49 163.15 30.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.899 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 97.3 m-85 -145.4 126.4 14.56 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.994 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.419 ' HA ' HG22 ' A' ' 44' ' ' THR . 15.3 t -101.53 133.96 45.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.153 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -153.93 -130.38 1.43 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.497 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -169.33 155.92 6.6 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.757 0.313 . . . . 0.0 110.929 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 1.9 p -127.04 149.63 49.82 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.93 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 10.5 p -91.44 142.17 27.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.164 -179.863 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 16.7 ptmt -50.99 -36.88 41.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.903 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 34.6 p -75.58 -31.46 60.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.908 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.47 104.69 7.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.921 179.904 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 25.9 t30 -79.38 73.5 6.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.819 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -140.56 152.54 45.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.896 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 36.7 t -95.37 115.81 27.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.878 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.22 67.48 1.59 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.858 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 19.5 p90 -94.92 -170.13 2.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.868 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 2.9 mttt -129.85 130.11 44.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.897 179.86 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -120.78 169.88 9.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.897 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 5.5 t70 71.81 -70.13 0.17 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.908 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -178.92 63.62 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.144 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 90.74 18.87 46.22 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.463 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 10.1 tttt -79.51 179.59 7.38 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.814 0.34 . . . . 0.0 110.94 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -114.92 129.26 56.67 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.897 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 96.7 m -142.97 128.01 18.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.16 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 45.5 m-85 -127.83 120.02 26.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.861 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.461 ' O ' HG23 ' A' ' 26' ' ' ILE . 3.9 tp -135.32 109.45 10.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.083 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.03 115.77 3.37 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.866 179.878 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.524 ' HA ' HG11 ' A' ' 52' ' ' VAL . 52.3 m -52.91 152.96 6.5 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.642 0.734 . . . . 0.0 110.859 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.547 ' HD2' HG13 ' A' ' 52' ' ' VAL . 53.9 Cg_endo -69.73 79.19 0.95 Allowed 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.664 2.243 . . . . 0.0 112.356 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 11.0 mmtt -147.08 62.3 1.18 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.883 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 16.3 m-85 -87.65 98.88 11.67 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.896 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 16.6 t0 56.82 73.68 0.44 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.874 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -178.45 -48.18 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.885 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.9 mptt -156.62 59.58 0.55 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.824 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.4 125.9 30.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.835 179.878 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -53.76 138.73 34.82 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.831 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 4.4 t -135.16 60.31 1.7 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.167 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -160.72 112.88 1.94 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.96 179.87 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -49.66 128.05 17.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.897 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 62.63 38.92 11.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.906 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -60.34 -169.8 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.903 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -109.43 107.96 18.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.949 179.816 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 11.2 p -131.07 154.58 48.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.864 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.419 HG22 ' HA ' ' A' ' 4' ' ' THR . 36.9 p -147.47 118.46 7.68 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.149 -179.826 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.486 HG22 ' CG2' ' A' ' 52' ' ' VAL . 61.6 t -92.64 142.69 12.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.109 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 19.3 t0 -111.6 126.55 55.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.856 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -83.83 -10.82 57.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.107 -179.896 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -51.46 -57.16 9.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.912 -179.832 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 19.8 t30 -155.5 39.58 0.39 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.86 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.1 m120 60.28 69.65 0.68 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.898 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -132.26 83.54 2.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.138 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.547 HG13 ' HD2' ' A' ' 29' ' ' PRO . 11.2 p -89.79 145.77 7.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.161 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 78.7 m-20 -99.32 -175.62 3.06 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.951 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 14.8 p -148.09 151.59 35.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.872 -179.857 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 16.0 t70 . . . . . 0 C--N 1.328 -0.354 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.935 179.974 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.936 0.398 . . . . 0.0 111.086 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 39.1 mttt -102.01 168.96 9.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.831 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 92.1 m-85 -153.12 125.62 8.18 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.881 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 5.9 m -97.47 151.42 20.01 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.112 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -160.13 -136.29 2.0 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.467 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.444 ' HB2' ' HA ' ' A' ' 40' ' ' ASN . 0.0 OUTLIER -163.67 142.1 7.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.732 0.301 . . . . 0.0 110.886 -179.977 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 89.4 m -101.8 173.65 6.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.849 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 4.6 p -116.88 135.49 53.68 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.199 -179.846 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.25 -21.59 48.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.942 179.865 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 90.3 p -100.6 16.02 26.16 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.829 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -174.72 108.88 0.12 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.918 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 34.4 t30 -84.5 76.13 10.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.896 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -135.38 137.16 42.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.859 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.436 ' SG ' HG13 ' A' ' 52' ' ' VAL . 0.1 OUTLIER -69.28 108.81 3.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.872 -179.944 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.41 108.54 20.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.943 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.618 ' CD1' HG21 ' A' ' 45' ' ' VAL . 17.3 p90 -136.6 173.67 11.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.925 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 9.5 mttp -110.71 122.18 47.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.861 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -111.91 166.33 11.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.881 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 5.1 t70 71.98 -69.4 0.19 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.928 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -173.84 43.76 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.034 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 111.27 14.26 12.07 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.475 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.98 113.87 23.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.822 0.344 . . . . 0.0 110.821 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -51.8 148.17 6.01 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.836 179.844 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 14.1 m -149.65 135.36 18.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.201 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 17.3 m-85 -132.13 135.79 46.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.92 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.464 ' O ' HG23 ' A' ' 26' ' ' ILE . 0.9 OUTLIER -154.08 38.55 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.12 -179.951 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 54.57 179.83 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.921 179.856 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.1 m -132.57 144.32 52.48 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-O 121.655 0.74 . . . . 0.0 110.892 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 70.97 1.56 Allowed 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.681 2.254 . . . . 0.0 112.358 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 14.8 mmtt -139.05 65.53 1.44 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.907 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 26.0 m-85 -80.2 86.56 5.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.892 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 10.7 t70 51.42 86.18 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -179.33 -40.25 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.876 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 7.8 tttp -174.97 66.48 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.866 179.867 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.2 mppt? -78.92 177.71 8.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.893 179.83 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 25.1 p -51.23 155.31 1.39 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.866 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 12.1 t -160.05 39.52 0.18 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.13 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.7 tmtt? -179.74 151.12 0.43 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.896 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -75.45 105.66 6.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.96 179.797 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . 0.444 ' HA ' ' HB2' ' A' ' 6' ' ' LYS . 1.2 m120 68.13 42.74 1.71 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.897 -179.838 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.2 p30 -54.75 -75.6 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.869 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 11.2 ttpt 178.09 146.95 0.14 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.913 179.875 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 3.1 p -150.58 176.56 10.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.834 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -166.2 144.23 5.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.174 -179.877 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.618 HG21 ' CD1' ' A' ' 16' ' ' TYR . 70.2 t -137.8 140.39 41.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.158 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.668 ' HB3' ' HB3' ' A' ' 51' ' ' ALA . 23.0 t0 -121.05 95.51 4.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.911 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.4 t -61.16 -16.32 43.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.19 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 91.6 t80 -51.5 -40.77 60.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.947 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 25.3 t30 -146.78 37.39 0.98 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.873 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 48.14 60.64 3.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.948 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.668 ' HB3' ' HB3' ' A' ' 46' ' ' ASP . . . -100.53 158.33 16.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.083 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.436 HG13 ' SG ' ' A' ' 14' ' ' CYS . 23.4 t -145.81 135.33 17.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.056 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -133.07 -176.12 4.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.832 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.6 t -164.96 166.89 19.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.845 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 17.8 t0 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.876 -179.987 . . . . . . . . 0 0 . 1 stop_ save_