data_1wo7_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 1wo7 _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 ' 1' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 . . . . . 0 N--CA 1.486 1.34 0 CA-C-O 120.791 0.329 . . . . 1.0 111.231 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 11.3 p -59.02 -30.98 44.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.105 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 66.7 m -66.49 -30.53 70.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.902 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 43.7 p -109.65 27.59 9.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.021 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 50.4 t -65.07 156.3 31.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.779 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . 0.422 ' CE2' HD22 ' A' ' 7' ' ' LEU . 52.6 p90 -91.94 -45.92 8.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.079 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.422 HD22 ' CE2' ' A' ' 6' ' ' TYR . 4.7 pp -91.44 145.63 31.74 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.923 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -75.86 -179.16 4.91 Favored 'Trans proline' 0 C--N 1.343 0.273 0 C-N-CA 122.619 2.213 . . . . 0.0 112.36 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 7.9 mmtt 59.92 37.68 21.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.01 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -119.13 -41.26 2.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.887 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -88.4 101.09 13.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.089 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -110.52 -31.18 7.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.048 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -148.17 30.9 0.85 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.112 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 59.6 30.75 20.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.071 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -88.76 117.24 27.6 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.875 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 11.2 p -70.2 -42.8 79.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.12 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.43 -48.21 81.45 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.986 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.99 -20.01 35.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.221 179.713 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 5.7 t60 -88.2 -65.16 1.05 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.409 -0.36 . . . . 0.01 110.847 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 12.8 tt -60.92 -20.4 21.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.901 -179.585 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 6.4 t -49.01 -47.63 44.31 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.85 0.357 . . . . 0.0 111.123 -179.786 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 21.7 p-80 -109.44 -29.0 8.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.146 -0.479 . . . . 0.01 110.915 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 54.3 m -79.53 123.69 27.8 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.954 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 20.3 m-85 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.961 179.998 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 11.2 m-85 . . . . . 0 N--CA 1.487 1.376 0 CA-C-O 120.84 0.352 . . . . 1.0 111.17 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . 0.401 ' HA ' ' CG ' ' A' ' 19' ' ' HIS . 11.3 p -58.02 -40.55 77.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.121 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.0 m -60.35 -29.82 69.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.848 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.3 p -108.95 26.48 10.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.095 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 54.0 t -65.07 152.87 42.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.73 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 40.2 p90 -101.62 -49.34 4.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.127 -179.794 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.6 pp -80.46 146.71 62.07 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.007 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo -72.93 -168.19 0.4 Allowed 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.553 2.168 . . . . 0.0 112.298 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 14.5 mtpp 59.62 31.36 20.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.877 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -126.5 160.67 29.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.82 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . 61.34 90.5 0.07 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.057 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -108.98 -31.13 7.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.098 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -140.7 30.75 1.87 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.114 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 59.34 77.86 0.29 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.189 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 37.1 t30 -147.57 125.41 11.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.827 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 12.3 p -69.66 -41.29 80.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.138 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.52 -47.23 84.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.044 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.91 -20.03 34.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.211 179.742 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.401 ' CG ' ' HA ' ' A' ' 2' ' ' VAL . 6.2 t60 -87.78 -65.87 0.97 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.375 -0.375 . . . . 0.01 110.879 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 3.4 tt -60.33 -21.49 22.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.906 -179.521 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 6.9 t -48.4 -47.88 37.32 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.794 0.33 . . . . 0.0 111.147 -179.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 34.1 p-80 -109.03 -28.45 9.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.01 110.913 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 56.7 m -80.73 137.16 36.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.935 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 . . . . . 0 C--N 1.33 -0.259 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.928 179.976 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 55.4 m-85 . . . . . 0 N--CA 1.486 1.357 0 CA-C-O 120.895 0.378 . . . . 1.0 111.172 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . 0.412 ' HA ' ' CG ' ' A' ' 19' ' ' HIS . 11.4 p -58.54 -36.39 59.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.078 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.5 m -60.43 -29.56 69.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.89 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.3 m -108.06 24.73 12.53 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.144 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 51.8 t -65.12 156.19 32.43 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.717 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . 0.415 ' CD2' ' N ' ' A' ' 7' ' ' LEU . 53.8 p90 -108.07 -47.75 3.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.108 -179.804 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.415 ' N ' ' CD2' ' A' ' 6' ' ' TYR . 4.7 pp -81.34 147.25 59.8 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.028 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -71.89 -168.06 0.34 Allowed 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 122.563 2.175 . . . . 0.0 112.371 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 59.54 31.26 20.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.863 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -127.97 166.23 18.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.847 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . 61.11 89.95 0.07 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.084 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -110.35 -31.0 7.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.102 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -145.63 35.06 1.04 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.071 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 59.7 31.1 20.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.053 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -97.03 109.98 22.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.891 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 10.9 p -60.72 -39.26 81.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.073 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.83 -45.47 89.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.006 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.16 -19.59 34.13 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.307 179.672 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.412 ' CG ' ' HA ' ' A' ' 2' ' ' VAL . 6.7 t60 -87.59 -66.59 0.9 Allowed 'General case' 0 CA--C 1.53 0.194 0 CA-C-N 116.382 -0.372 . . . . 0.01 110.856 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 6.6 tt -59.49 -21.49 20.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.929 -179.526 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 7.9 t -49.05 -47.25 44.97 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-O 120.755 0.312 . . . . 0.0 111.117 -179.777 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 36.5 p-80 -109.78 -29.0 8.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.316 -0.402 . . . . 0.01 110.852 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 47.7 m -79.78 136.48 36.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.871 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 4.4 m-85 . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.916 179.942 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 77.3 m-85 . . . . . 0 N--CA 1.487 1.388 0 CA-C-O 120.814 0.34 . . . . 1.0 111.163 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 11.2 p -59.71 -42.14 87.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.058 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.88 -31.51 69.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.879 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 26.8 m -73.47 -22.23 60.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.084 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 7.2 t -57.99 128.92 39.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.98 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . 0.408 ' CD1' ' N ' ' A' ' 7' ' ' LEU . 28.0 p90 -88.91 -44.65 10.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.925 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.408 ' N ' ' CD1' ' A' ' 6' ' ' TYR . 4.3 pp -75.73 143.62 75.35 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.916 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -74.93 -168.29 0.5 Allowed 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.568 2.179 . . . . 0.0 112.366 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 6.4 mtpp 60.14 38.32 20.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.944 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -137.38 -48.43 0.59 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.917 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -90.61 94.58 9.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.037 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -107.41 -31.97 7.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.119 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -142.02 29.72 1.66 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.189 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 58.41 30.58 19.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.194 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.7 t30 -89.67 110.32 21.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.864 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 10.9 p -63.68 -40.02 87.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.118 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.0 -50.45 74.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.055 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.75 -20.27 33.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.252 179.774 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 5.1 t60 -88.36 -64.2 1.18 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.358 -0.383 . . . . 0.01 110.765 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 8.9 tp -60.24 -19.0 17.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.892 -179.659 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 8.9 t -48.7 -47.01 41.34 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.801 0.334 . . . . 0.0 111.203 -179.824 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 23.8 p-80 -112.45 -29.84 7.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.259 -0.428 . . . . 0.01 110.993 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 22.4 m -75.92 128.07 34.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.984 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 6.9 m-85 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.859 -179.954 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 . . . . . 0 N--CA 1.486 1.355 0 CA-C-O 120.846 0.355 . . . . 1.0 111.242 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 11.4 p -58.48 -30.98 42.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.165 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.6 t -65.59 -30.44 71.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.931 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 2.9 m -109.33 27.18 9.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.101 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 49.1 t -65.06 156.29 31.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.859 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . 0.436 ' CD1' ' N ' ' A' ' 7' ' ' LEU . 51.5 p90 -97.08 -46.87 6.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.008 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.436 ' N ' ' CD1' ' A' ' 6' ' ' TYR . 4.2 pp -85.44 144.12 39.93 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.896 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -76.09 176.89 9.46 Favored 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 122.509 2.139 . . . . 0.0 112.321 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 6.2 mmtp 60.26 44.95 11.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.918 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -122.77 -43.44 2.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.831 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -97.11 103.98 15.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.128 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -110.77 -31.83 7.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.192 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -142.95 29.98 1.47 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.155 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 58.79 77.29 0.31 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.15 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 5.0 t30 -137.91 119.65 15.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.803 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 11.9 p -73.14 -42.5 58.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.114 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.59 -51.0 71.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.026 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.5 -20.19 29.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.198 179.764 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 5.2 t60 -87.65 -64.84 1.09 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.286 -0.415 . . . . 0.01 110.813 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 9.2 tp -60.24 -23.21 26.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.773 -179.599 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 8.8 t -47.36 -45.27 24.69 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.757 0.313 . . . . 0.0 111.336 -179.718 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 20.6 p-80 -111.93 -31.79 6.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.365 -0.38 . . . . 0.01 110.973 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 26.2 m -75.54 133.9 40.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.859 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 9.6 m-85 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.948 179.971 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 35.5 m-85 . . . . . 0 N--CA 1.485 1.318 0 CA-C-O 120.843 0.354 . . . . 1.0 111.178 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . 0.42 ' HA ' ' CG ' ' A' ' 19' ' ' HIS . 11.6 p -58.97 -42.01 84.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.097 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.8 m -60.71 -29.12 69.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.954 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 2.7 m -107.91 24.2 13.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.118 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 51.2 t -65.07 156.17 32.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.73 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . 0.408 ' CZ ' HD21 ' A' ' 7' ' ' LEU . 46.4 p90 -105.76 -48.29 3.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.073 -179.76 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.408 HD21 ' CZ ' ' A' ' 6' ' ' TYR . 4.6 pp -79.81 148.93 69.89 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.118 -179.883 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -71.33 -167.84 0.31 Allowed 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.584 2.189 . . . . 0.0 112.322 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 59.41 31.32 20.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.878 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -132.58 164.1 27.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.815 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . 61.05 82.33 0.17 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.108 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -110.83 -31.02 7.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.125 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -141.53 32.93 1.65 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.064 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 59.43 30.96 20.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.107 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 6.5 m120 -96.32 119.94 35.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.874 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 10.9 p -71.36 -40.08 72.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.084 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.63 -46.5 86.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.936 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.54 -20.14 29.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.321 179.73 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.42 ' CG ' ' HA ' ' A' ' 2' ' ' VAL . 6.5 t60 -87.28 -66.4 0.91 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.309 -0.405 . . . . 0.01 110.86 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 3.7 tt -60.01 -22.09 23.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.909 -179.474 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 7.8 t -48.28 -47.49 36.3 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.854 0.359 . . . . 0.0 111.186 -179.823 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 36.6 p-80 -109.22 -28.24 9.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.139 -0.482 . . . . 0.01 110.86 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 56.5 m -81.44 138.16 35.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.894 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.911 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 . . . . . 0 N--CA 1.486 1.356 0 CA-C-O 120.843 0.354 . . . . 1.0 111.26 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . 0.411 ' HA ' ' CG ' ' A' ' 19' ' ' HIS . 12.2 p -58.85 -42.84 86.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.11 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 t -59.49 -28.82 67.37 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.995 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 7.7 m -110.12 26.22 10.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.152 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 53.3 t -64.99 156.15 32.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.704 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 39.4 p90 -103.96 -47.8 4.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.118 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.6 pp -81.56 149.14 63.98 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.949 -179.841 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -71.37 -167.89 0.31 Allowed 'Trans proline' 0 C--N 1.345 0.342 0 C-N-CA 122.647 2.231 . . . . 0.0 112.38 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 59.48 30.72 20.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.835 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -131.59 171.26 13.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.878 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . 60.34 41.23 16.59 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.135 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -65.58 -30.89 71.68 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.095 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -146.8 30.95 0.96 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.156 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 59.26 31.23 21.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.074 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -94.32 120.81 35.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.923 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 11.2 p -67.11 -45.07 87.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.057 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.33 -47.64 83.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.906 179.807 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.34 -20.01 39.86 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.213 179.705 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.411 ' CG ' ' HA ' ' A' ' 2' ' ' VAL . 5.2 t60 -87.56 -65.29 1.03 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.391 -0.368 . . . . 0.01 110.895 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 2.8 tt -60.68 -22.07 25.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.959 -179.58 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 7.4 t -48.4 -47.31 37.76 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-O 120.769 0.319 . . . . 0.0 111.091 -179.759 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 39.0 p-80 -108.82 -28.21 9.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.01 110.854 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 59.7 m -81.86 134.61 35.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.918 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 10.2 m-85 . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.905 179.993 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 25.4 m-85 . . . . . 0 N--CA 1.485 1.325 0 CA-C-O 120.74 0.305 . . . . 1.0 111.247 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . 0.408 ' HA ' ' CG ' ' A' ' 19' ' ' HIS . 12.4 p -58.54 -32.58 46.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.027 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.6 m -64.53 -29.66 70.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.989 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 3.0 m -107.49 24.0 13.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.162 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 51.9 t -65.04 156.5 31.23 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.704 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . 0.429 ' CZ ' HD21 ' A' ' 7' ' ' LEU . 52.6 p90 -96.35 -37.92 10.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.055 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.429 HD21 ' CZ ' ' A' ' 6' ' ' TYR . 2.1 pp -97.1 143.13 25.6 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.921 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 68.5 Cg_endo -74.28 -176.26 2.61 Favored 'Trans proline' 0 C--N 1.346 0.407 0 C-N-CA 122.598 2.198 . . . . 0.0 112.345 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 21.4 mttt 59.36 31.08 20.84 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.982 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -115.1 -38.25 3.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.938 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -93.75 99.0 11.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.088 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -110.42 -31.25 7.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.063 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -146.95 31.0 0.95 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.143 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 59.43 30.86 20.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.157 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 37.5 m-20 -87.94 115.42 25.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.844 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 11.2 p -69.91 -43.29 79.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.079 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.31 -47.16 84.59 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.957 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.33 -19.72 37.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.281 179.62 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.408 ' CG ' ' HA ' ' A' ' 2' ' ' VAL . 6.3 t60 -88.34 -65.71 0.99 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.388 -0.369 . . . . 0.01 110.785 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 3.7 tt -60.21 -20.36 20.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.949 -179.528 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 6.5 t -49.26 -47.71 46.39 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-O 120.821 0.343 . . . . 0.0 111.12 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 20.9 p-80 -109.57 -29.38 8.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.255 -0.43 . . . . 0.01 110.874 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 46.4 m -78.81 107.7 11.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.855 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.919 179.921 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.487 1.401 0 CA-C-O 120.753 0.311 . . . . 1.0 111.215 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 11.4 p -58.44 -31.18 42.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.099 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 37.7 m -72.79 -29.39 63.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.905 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.5 m -108.57 24.64 12.76 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.113 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 53.1 t -65.04 145.32 56.48 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.746 179.838 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . 0.438 ' CD2' ' N ' ' A' ' 7' ' ' LEU . 47.3 p90 -93.94 -48.91 6.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.198 -179.881 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.438 ' N ' ' CD2' ' A' ' 6' ' ' TYR . 4.1 pp -78.14 145.74 69.73 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.939 -179.874 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 63.3 Cg_endo -73.41 -168.07 0.41 Allowed 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 122.634 2.223 . . . . 0.0 112.321 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 59.61 32.27 21.44 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.81 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -129.03 171.57 12.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.858 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . 60.98 43.95 10.95 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.098 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.62 -31.02 69.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.08 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -144.22 30.35 1.27 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.187 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 59.03 30.92 20.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.168 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -97.63 127.44 43.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.848 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 12.4 p -66.63 -44.32 89.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.13 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.03 -46.6 85.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.003 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.55 -19.64 39.62 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.304 179.636 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 6.1 t60 -88.06 -65.71 0.99 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.387 -0.369 . . . . 0.01 110.798 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 7.8 tt -60.25 -21.34 22.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.891 -179.539 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 6.6 t -48.49 -47.9 38.32 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-O 120.871 0.367 . . . . 0.0 111.218 -179.814 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 26.9 p-80 -109.07 -28.83 8.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.246 -0.434 . . . . 0.01 110.83 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 55.8 m -80.15 118.6 21.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.968 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.865 -179.96 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 6.8 m-85 . . . . . 0 N--CA 1.487 1.397 0 CA-C-O 120.79 0.329 . . . . 1.0 111.209 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 11.6 p -59.71 -31.1 46.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.053 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.3 m -65.18 -30.96 71.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.94 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -108.35 26.96 9.83 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.03 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 50.0 t -65.03 156.33 31.77 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.875 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 50.8 p90 -97.05 -46.15 6.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.028 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.2 pp -86.57 145.28 39.09 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.007 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -76.17 -176.46 3.07 Favored 'Trans proline' 0 C--N 1.344 0.3 0 C-N-CA 122.586 2.19 . . . . 0.0 112.375 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 32.9 mttt 59.09 30.6 20.44 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.017 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -115.23 -35.71 4.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.991 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -84.16 57.37 4.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.146 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -111.91 -32.69 6.52 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.141 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -93.91 -20.37 20.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.274 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 66.84 31.24 7.42 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.82 0.343 . . . . 0.0 111.038 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -127.44 133.86 49.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.8 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 11.1 p -59.24 -41.1 82.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.137 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.31 -47.66 84.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.947 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.35 -19.68 37.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.269 179.761 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 5.3 t60 -87.96 -65.06 1.06 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.428 -0.351 . . . . 0.01 110.837 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.417 ' CG1' ' CE1' ' A' ' 24' ' ' TYR . 6.0 tt -61.39 -20.57 23.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.866 -179.47 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 6.5 t -48.52 -47.95 38.69 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.809 0.337 . . . . 0.0 111.188 -179.815 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 23.8 p-80 -108.87 -28.59 9.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 0.01 110.806 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 58.3 m -80.25 105.79 11.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.958 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.417 ' CE1' ' CG1' ' A' ' 20' ' ' ILE . 5.1 m-85 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.898 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 1.6 t80 . . . . . 0 N--CA 1.486 1.352 0 CA-C-O 120.871 0.367 . . . . 1.0 111.148 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . 0.407 ' HA ' ' CG ' ' A' ' 19' ' ' HIS . 11.4 p -58.95 -30.24 42.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.121 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.99 -29.06 60.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.017 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.5 m -103.15 16.82 25.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.312 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 47.2 t -65.2 130.13 42.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.88 0.371 . . . . 0.0 110.766 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . 0.419 ' CZ ' HD22 ' A' ' 7' ' ' LEU . 52.1 p90 -86.88 -42.58 13.11 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.133 -179.852 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.419 HD22 ' CZ ' ' A' ' 6' ' ' TYR . 0.7 OUTLIER -76.34 145.48 76.22 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.941 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 62.6 Cg_endo -73.24 -168.28 0.42 Allowed 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 122.555 2.17 . . . . 0.0 112.396 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.2 tttp 59.52 38.05 22.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.913 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -139.97 166.5 24.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.91 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . 60.5 84.36 0.13 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.069 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -110.19 -31.15 7.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.129 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -138.13 30.49 2.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.127 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 59.19 30.89 20.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.124 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -98.78 129.52 45.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.853 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 11.1 p -75.35 -39.4 41.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.088 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.86 -45.15 90.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.993 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.36 -19.55 36.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.264 179.7 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.407 ' CG ' ' HA ' ' A' ' 2' ' ' VAL . 6.8 t60 -87.77 -66.41 0.92 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.355 -0.384 . . . . 0.01 110.868 -179.888 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 2.8 tt -59.79 -21.59 21.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.951 -179.545 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 7.0 t -48.29 -47.89 36.12 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.828 0.347 . . . . 0.0 111.195 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 25.6 p-80 -109.15 -29.04 8.72 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.176 -0.465 . . . . 0.01 110.891 179.844 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 56.1 m -80.17 120.78 24.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.925 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.33 -0.244 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.887 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 94.1 m-85 . . . . . 0 N--CA 1.487 1.378 0 CA-C-O 120.802 0.334 . . . . 1.0 111.153 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 11.3 p -71.66 -40.79 71.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.025 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 39.4 m -59.53 -32.05 69.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.78 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -75.37 -19.53 59.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.191 179.837 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 11.7 t -54.46 159.42 2.07 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.872 0.368 . . . . 0.0 111.048 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 8.4 p90 -126.05 -40.69 1.99 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.249 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -74.94 145.66 81.51 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.981 -179.734 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 45.3 Cg_exo -56.2 -165.3 0.02 OUTLIER 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 122.598 2.199 . . . . 0.0 112.272 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 57.16 30.88 19.06 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.949 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.3 m -151.52 158.61 43.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.899 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . 61.85 72.26 0.51 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.122 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -110.67 -31.04 7.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.083 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -149.85 31.03 0.71 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.122 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 60.18 78.97 0.25 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.09 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -145.76 120.05 9.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.883 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 12.0 p -72.52 -41.05 63.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.064 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.12 -50.04 75.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.042 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.46 -19.72 39.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.269 179.82 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 4.2 t60 -88.34 -63.79 1.24 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.817 0.341 . . . . 0.01 110.831 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 14.8 tt -61.81 -17.9 18.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.834 -179.582 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 9.7 t -49.96 -47.32 52.67 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.829 0.347 . . . . 0.0 111.118 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 18.6 p-80 -110.26 -30.31 7.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 0.01 110.806 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 47.4 m -76.91 124.72 28.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.873 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 7.3 m-85 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.915 179.998 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 36.2 m-85 . . . . . 0 N--CA 1.487 1.388 0 CA-C-O 120.751 0.31 . . . . 1.0 111.192 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . 0.41 ' HA ' ' CG ' ' A' ' 19' ' ' HIS . 11.1 p -70.67 -43.41 77.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.049 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 69.5 m -59.37 -43.04 92.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.893 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 44.4 p -63.01 -19.89 64.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.147 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 18.1 t -55.37 152.17 8.95 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.103 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . 0.422 ' CD1' ' N ' ' A' ' 7' ' ' LEU . 8.4 p90 -119.6 -36.67 3.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.109 -179.793 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.422 ' N ' ' CD1' ' A' ' 6' ' ' TYR . 4.6 pp -74.83 142.79 77.18 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.036 -179.823 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 46.5 Cg_exo -56.0 -166.41 0.02 OUTLIER 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 122.529 2.152 . . . . 0.0 112.27 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 9.7 mptt 57.06 31.24 19.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.944 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.4 m -150.75 164.77 35.38 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.91 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . 60.91 38.85 17.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.042 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -78.39 -31.0 48.12 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.07 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -146.92 30.73 0.96 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.107 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 59.41 30.97 20.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.124 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 28.4 t-20 -93.64 118.16 31.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.853 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 12.4 p -70.52 -43.61 77.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.079 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.73 -47.0 86.12 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.94 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.9 -18.8 47.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.266 179.828 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.41 ' CG ' ' HA ' ' A' ' 2' ' ' VAL . 4.0 t60 -86.92 -64.08 1.21 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.858 0.361 . . . . 0.01 110.872 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 2.6 tt -62.39 -17.08 17.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.843 -179.503 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 9.0 t -51.71 -43.9 63.0 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.816 0.341 . . . . 0.0 111.14 -179.853 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 13.9 p-80 -112.95 -32.46 6.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.01 110.954 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 27.6 m -73.75 133.46 43.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.975 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.807 -179.963 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 16.0 m-85 . . . . . 0 N--CA 1.487 1.414 0 CA-C-O 120.854 0.359 . . . . 1.0 111.202 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 11.2 p -59.42 -44.77 93.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.06 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.9 t -62.37 -30.0 70.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.925 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 7.9 m -112.02 29.93 7.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.01 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 50.5 t -65.06 149.7 49.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.784 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . 0.448 ' CD1' ' N ' ' A' ' 7' ' ' LEU . 51.8 p90 -78.33 -48.35 15.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.2 -179.723 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.448 ' N ' ' CD1' ' A' ' 6' ' ' TYR . 4.6 pp -87.95 148.09 42.47 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.976 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 63.9 Cg_endo -73.54 -175.09 1.88 Allowed 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 122.603 2.202 . . . . 0.0 112.387 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 28.7 mttp 57.72 33.86 23.75 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.89 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -131.57 64.4 1.59 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.88 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -176.71 93.97 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.095 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -110.16 -31.21 7.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.132 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -156.21 30.57 0.34 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.155 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 59.29 32.83 22.23 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.136 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 7.2 m120 -84.94 119.63 25.59 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.909 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 12.1 p -72.4 -44.92 61.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.038 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.13 -47.55 82.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.979 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.3 -19.18 44.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.247 179.732 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 3.7 t60 -87.56 -64.41 1.15 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.392 -0.367 . . . . 0.01 110.932 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 11.7 tt -61.54 -22.46 28.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.822 -179.453 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 8.2 t -48.19 -47.4 35.35 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.922 0.392 . . . . 0.0 111.173 -179.841 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 31.1 p-80 -107.8 -28.42 9.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.125 -0.488 . . . . 0.01 110.847 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 67.0 m -81.81 109.06 15.85 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.938 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 8.8 m-85 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.841 179.979 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 . . . . . 0 N--CA 1.487 1.377 0 CA-C-O 120.862 0.363 . . . . 1.0 111.196 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . 0.418 ' HA ' ' CG ' ' A' ' 19' ' ' HIS . 11.2 p -59.88 -30.83 46.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.126 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.6 t -61.83 -29.02 69.89 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.109 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -100.21 11.93 38.23 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.425 -179.897 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 43.6 t -65.15 153.7 40.14 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.817 0.341 . . . . 0.0 110.729 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . 0.416 ' CE1' HD22 ' A' ' 7' ' ' LEU . 18.1 p90 -114.74 -44.56 3.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.024 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.416 HD22 ' CE1' ' A' ' 6' ' ' TYR . 1.8 pp -74.89 147.38 83.89 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.933 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -70.38 -168.11 0.28 Allowed 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.582 2.188 . . . . 0.0 112.406 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 59.52 31.46 21.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.851 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -135.24 162.32 32.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.878 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . 61.0 80.54 0.21 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.121 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -109.76 -31.29 7.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.069 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -139.35 31.15 2.13 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.111 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 59.58 30.81 20.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.143 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 6.1 t30 -97.35 121.99 39.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.904 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 11.2 p -71.2 -40.01 73.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.062 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.41 -45.37 88.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.94 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.67 -19.19 37.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.234 179.795 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.418 ' CG ' ' HA ' ' A' ' 2' ' ' VAL . 6.9 t60 -88.3 -66.5 0.91 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.385 -0.371 . . . . 0.01 110.818 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 3.2 tt -59.51 -20.69 19.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.869 -179.47 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 6.6 t -49.31 -47.87 46.69 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.835 0.35 . . . . 0.0 111.192 -179.81 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 20.8 p-80 -109.3 -29.84 8.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.455 . . . . 0.01 110.895 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 41.4 m -78.52 134.62 37.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.908 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.9 -179.992 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 45.7 m-85 . . . . . 0 N--CA 1.487 1.375 0 CA-C-O 120.837 0.351 . . . . 1.0 111.211 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . 0.403 ' HA ' ' CG ' ' A' ' 19' ' ' HIS . 11.7 p -58.17 -34.48 49.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.126 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -64.61 -29.6 70.61 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.936 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 3.6 m -107.04 23.62 14.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.118 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 49.8 t -65.04 156.39 31.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.825 0.345 . . . . 0.0 110.706 179.833 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . 0.413 ' CE2' HD21 ' A' ' 7' ' ' LEU . 18.3 p90 -110.48 -48.97 3.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.098 -179.869 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.413 HD21 ' CE2' ' A' ' 6' ' ' TYR . 3.4 pp -78.41 125.77 84.18 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.921 -179.861 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 48.3 Cg_exo -55.75 -166.81 0.02 OUTLIER 'Trans proline' 0 C--N 1.346 0.446 0 C-N-CA 122.441 2.094 . . . . 0.0 112.29 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 58.68 31.36 21.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.929 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -126.97 168.17 14.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.88 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . 60.88 92.43 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.091 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -110.19 -31.21 7.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.092 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -139.13 30.74 2.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.12 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 59.58 30.96 20.62 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.155 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -99.65 126.85 45.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.852 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 12.2 p -69.49 -39.32 78.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.02 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.68 -45.39 89.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.991 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.26 -19.57 35.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.306 179.706 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.403 ' CG ' ' HA ' ' A' ' 2' ' ' VAL . 6.7 t60 -87.79 -66.44 0.91 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.368 -0.378 . . . . 0.01 110.852 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 6.5 tt -59.75 -21.51 21.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.918 -179.533 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 7.1 t -48.39 -47.97 37.22 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.892 0.377 . . . . 0.0 111.146 -179.826 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 25.3 p-80 -109.02 -28.94 8.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 0.01 110.903 179.867 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 55.9 m -80.21 136.78 36.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.9 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 10.2 m-85 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.883 179.995 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 39.8 m-85 . . . . . 0 N--CA 1.486 1.344 0 CA-C-O 120.812 0.339 . . . . 1.0 111.193 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . 0.427 ' HA ' ' CG ' ' A' ' 19' ' ' HIS . 11.1 p -58.99 -30.72 44.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.067 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.5 m -60.43 -29.02 68.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.972 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 6.1 m -98.94 11.7 38.13 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.381 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 33.0 t -65.07 143.37 57.96 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.753 0.311 . . . . 0.0 110.735 179.841 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 43.9 p90 -120.03 28.76 7.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.249 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -151.32 154.92 34.28 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.901 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -69.98 -173.1 0.68 Allowed 'Trans proline' 0 C--N 1.343 0.28 0 C-N-CA 122.553 2.169 . . . . 0.0 112.281 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 60.84 36.86 18.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.898 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -147.82 165.23 31.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.836 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . 60.95 75.19 0.42 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.157 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -110.73 -31.11 7.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.09 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -145.1 31.2 1.13 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.108 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 59.73 30.98 20.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.146 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 6.3 t-20 -96.51 112.89 24.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.915 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 11.3 p -64.89 -39.95 87.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.075 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.57 -46.35 87.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.022 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.84 -19.86 31.92 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.246 179.68 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.427 ' CG ' ' HA ' ' A' ' 2' ' ' VAL . 7.1 t60 -88.0 -66.76 0.88 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.332 -0.394 . . . . 0.01 110.83 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 9.4 tp -58.37 -23.3 21.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.881 -179.584 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 7.3 t -47.61 -47.46 28.85 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.675 0.274 . . . . 0.0 111.328 -179.701 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 20.2 p-80 -110.12 -29.76 8.06 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.403 -0.362 . . . . 0.01 110.997 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 30.2 m -78.29 137.72 38.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.923 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.91 -179.943 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 . . . . . 0 N--CA 1.487 1.391 0 CA-C-O 120.837 0.351 . . . . 1.0 111.2 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . 0.442 ' N ' ' CD2' ' A' ' 19' ' ' HIS . 10.7 p -59.47 -30.54 44.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.09 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -69.23 -28.37 66.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.004 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 19.2 m -110.66 25.6 11.6 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.185 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 53.6 t -65.07 156.31 31.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.813 0.339 . . . . 0.0 110.745 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 20.0 p90 -107.48 -48.43 3.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.035 -179.795 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.7 pp -79.15 148.69 71.77 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.056 -179.793 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -72.62 -167.85 0.36 Allowed 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.56 2.173 . . . . 0.0 112.325 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.2 mptt 58.9 30.87 20.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.871 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -129.49 161.5 30.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.797 -179.906 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . 61.25 38.94 16.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.068 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -61.26 -30.99 70.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.055 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -138.72 30.87 2.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.169 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 59.45 30.9 20.63 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.097 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 11.1 t30 -97.36 120.1 37.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.842 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 11.3 p -66.56 -42.17 89.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.072 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.59 -46.02 87.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.996 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.45 -20.17 42.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.207 179.73 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.442 ' CD2' ' N ' ' A' ' 2' ' ' VAL . 6.0 t60 -86.42 -65.66 0.99 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.436 -0.347 . . . . 0.01 110.802 -179.874 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 5.7 tt -57.83 -20.52 14.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.834 -179.641 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 13.3 t -55.21 -35.16 64.59 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.731 0.301 . . . . 0.0 111.378 -179.653 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 32.1 p-80 -130.96 13.42 5.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.468 -0.333 . . . . 0.01 111.599 -179.706 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 9.9 m -123.02 88.28 2.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.865 0.364 . . . . 0.0 110.987 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 85.9 m-85 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.874 -179.951 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 41.5 m-85 . . . . . 0 N--CA 1.486 1.374 0 CA-C-O 120.838 0.351 . . . . 1.0 111.175 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . 0.407 ' HA ' ' CG ' ' A' ' 19' ' ' HIS . 11.5 p -58.99 -31.23 45.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.097 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.0 m -63.97 -30.18 71.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.967 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.3 p -108.38 25.92 11.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.089 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 52.3 t -65.08 156.28 32.05 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.783 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . 0.419 ' CZ ' HD21 ' A' ' 7' ' ' LEU . 34.3 p90 -99.5 -47.12 5.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.008 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.419 HD21 ' CZ ' ' A' ' 6' ' ' TYR . 4.2 pp -82.69 141.18 44.45 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.853 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -75.51 173.38 14.59 Favored 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 122.517 2.144 . . . . 0.0 112.416 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 6.9 tttp 61.63 44.71 8.71 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.917 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.2 t -120.6 -45.16 2.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.912 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -81.81 108.19 15.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.083 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -109.65 -31.12 7.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.163 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -153.04 34.63 0.47 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.065 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 60.24 30.99 20.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.146 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -90.57 117.25 29.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.817 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 11.3 p -70.29 -41.05 78.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.116 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.93 -48.93 79.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.008 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.79 -20.68 37.15 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.253 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.407 ' CG ' ' HA ' ' A' ' 2' ' ' VAL . 4.8 t60 -86.35 -64.65 1.12 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.351 -0.386 . . . . 0.01 110.795 -179.909 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 8.1 tt -58.92 -19.85 16.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.837 -179.617 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 13.7 t -56.15 -32.1 63.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.706 0.289 . . . . 0.0 111.365 -179.617 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 30.3 p-80 -134.21 15.1 3.83 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.472 -0.331 . . . . 0.01 111.633 -179.715 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 7.9 m -124.33 116.7 23.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.793 0.33 . . . . 0.0 110.966 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 87.2 m-85 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.904 -179.975 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 91.1 m-85 . . . . . 0 N--CA 1.486 1.375 0 CA-C-O 120.847 0.356 . . . . 1.0 111.187 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . 0.415 ' HA ' ' CG ' ' A' ' 19' ' ' HIS . 11.3 p -59.86 -30.7 45.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.022 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.7 m -67.99 -30.48 69.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.97 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 2.6 m -107.16 24.78 12.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.127 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 53.6 t -64.97 135.4 55.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.86 179.829 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . 0.412 ' CE2' HD21 ' A' ' 7' ' ' LEU . 47.1 p90 -59.54 -38.99 82.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.948 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.412 HD21 ' CE2' ' A' ' 6' ' ' TYR . 4.4 pp -104.74 148.58 36.3 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.876 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 67.8 Cg_endo -74.29 -30.96 7.93 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.615 2.21 . . . . 0.0 112.465 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 5.3 tttt -68.22 72.69 0.2 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.98 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -159.31 -63.24 0.07 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.841 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -59.65 96.59 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.112 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -110.7 -31.1 7.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.112 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -148.86 31.11 0.79 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.132 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 59.85 31.09 20.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.087 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -95.66 117.63 30.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.938 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 11.2 p -71.77 -41.59 70.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.083 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.78 -45.94 88.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.996 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.82 -20.07 47.03 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.165 179.847 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.415 ' CG ' ' HA ' ' A' ' 2' ' ' VAL . 4.1 t60 -85.84 -65.54 1.0 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.372 -0.376 . . . . 0.01 110.825 -179.886 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 2.7 tt -57.82 -20.73 15.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.791 -179.631 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 15.4 t -55.78 -33.8 64.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.66 0.266 . . . . 0.0 111.3 -179.619 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 28.6 p-80 -132.44 17.34 4.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.568 -0.287 . . . . 0.01 111.573 -179.749 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 6.1 m -126.28 111.02 14.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.83 0.348 . . . . 0.0 110.905 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.859 179.977 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 . . . . . 0 N--CA 1.486 1.34 0 CA-C-O 120.791 0.329 . . . . 1.0 111.231 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 11.3 p -59.02 -30.98 44.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.105 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 66.7 m -66.49 -30.53 70.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.902 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 43.7 p -109.65 27.59 9.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.021 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 50.4 t -65.07 156.3 31.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.779 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.422 ' CE2' HD22 ' A' ' 7' ' ' LEU . 52.6 p90 -91.94 -45.92 8.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.079 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.422 HD22 ' CE2' ' A' ' 6' ' ' TYR . 4.7 pp -91.44 145.63 31.74 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.923 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -75.86 -179.16 4.91 Favored 'Trans proline' 0 C--N 1.343 0.273 0 C-N-CA 122.619 2.213 . . . . 0.0 112.36 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 7.9 mmtt 59.92 37.68 21.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.01 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -119.13 -41.26 2.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.887 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -88.4 101.09 13.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.089 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -110.52 -31.18 7.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.048 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -148.17 30.9 0.85 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.112 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 59.6 30.75 20.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.071 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -88.76 117.24 27.6 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.875 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 11.2 p -70.2 -42.8 79.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.12 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.43 -48.21 81.45 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.986 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.99 -20.01 35.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.221 179.713 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 5.7 t60 -88.2 -65.16 1.05 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.409 -0.36 . . . . 0.01 110.847 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 12.8 tt -60.92 -20.4 21.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.901 -179.585 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 6.4 t -49.01 -47.63 44.31 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.85 0.357 . . . . 0.0 111.123 -179.786 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 21.7 p-80 -109.44 -29.0 8.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.146 -0.479 . . . . 0.01 110.915 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 54.3 m -79.53 123.69 27.8 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.954 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 20.3 m-85 -138.11 -178.31 5.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.961 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.8 ptpp? . . . . . 0 C--O 1.249 1.073 0 CA-C-O 118.269 -0.872 . . . . 1.0 110.945 179.98 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 11.2 m-85 . . . . . 0 N--CA 1.487 1.376 0 CA-C-O 120.84 0.352 . . . . 1.0 111.17 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.401 ' HA ' ' CG ' ' A' ' 19' ' ' HIS . 11.3 p -58.02 -40.55 77.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.121 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.0 m -60.35 -29.82 69.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.848 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.3 p -108.95 26.48 10.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.095 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 54.0 t -65.07 152.87 42.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.73 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 40.2 p90 -101.62 -49.34 4.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.127 -179.794 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.6 pp -80.46 146.71 62.07 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.007 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo -72.93 -168.19 0.4 Allowed 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.553 2.168 . . . . 0.0 112.298 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 14.5 mtpp 59.62 31.36 20.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.877 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -126.5 160.67 29.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.82 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . 61.34 90.5 0.07 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.057 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -108.98 -31.13 7.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.098 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -140.7 30.75 1.87 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.114 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 59.34 77.86 0.29 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.189 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 37.1 t30 -147.57 125.41 11.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.827 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 12.3 p -69.66 -41.29 80.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.138 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.52 -47.23 84.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.044 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.91 -20.03 34.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.211 179.742 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.401 ' CG ' ' HA ' ' A' ' 2' ' ' VAL . 6.2 t60 -87.78 -65.87 0.97 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.375 -0.375 . . . . 0.01 110.879 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 3.4 tt -60.33 -21.49 22.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.906 -179.521 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 6.9 t -48.4 -47.88 37.32 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.794 0.33 . . . . 0.0 111.147 -179.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 34.1 p-80 -109.03 -28.45 9.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.01 110.913 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 56.7 m -80.73 137.16 36.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.935 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -147.15 -53.64 0.22 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.928 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 6.7 ptpt . . . . . 0 C--O 1.249 1.045 0 CA-C-O 118.214 -0.898 . . . . 1.0 110.902 179.95 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 55.4 m-85 . . . . . 0 N--CA 1.486 1.357 0 CA-C-O 120.895 0.378 . . . . 1.0 111.172 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.412 ' HA ' ' CG ' ' A' ' 19' ' ' HIS . 11.4 p -58.54 -36.39 59.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.078 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.5 m -60.43 -29.56 69.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.89 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.3 m -108.06 24.73 12.53 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.144 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 51.8 t -65.12 156.19 32.43 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.717 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.415 ' CD2' ' N ' ' A' ' 7' ' ' LEU . 53.8 p90 -108.07 -47.75 3.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.108 -179.804 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.415 ' N ' ' CD2' ' A' ' 6' ' ' TYR . 4.7 pp -81.34 147.25 59.8 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.028 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -71.89 -168.06 0.34 Allowed 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 122.563 2.175 . . . . 0.0 112.371 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 59.54 31.26 20.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.863 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -127.97 166.23 18.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.847 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . 61.11 89.95 0.07 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.084 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -110.35 -31.0 7.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.102 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -145.63 35.06 1.04 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.071 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 59.7 31.1 20.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.053 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -97.03 109.98 22.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.891 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 10.9 p -60.72 -39.26 81.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.073 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.83 -45.47 89.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.006 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.16 -19.59 34.13 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.307 179.672 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.412 ' CG ' ' HA ' ' A' ' 2' ' ' VAL . 6.7 t60 -87.59 -66.59 0.9 Allowed 'General case' 0 CA--C 1.53 0.194 0 CA-C-N 116.382 -0.372 . . . . 0.01 110.856 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 6.6 tt -59.49 -21.49 20.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.929 -179.526 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 7.9 t -49.05 -47.25 44.97 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-O 120.755 0.312 . . . . 0.0 111.117 -179.777 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 36.5 p-80 -109.78 -29.0 8.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.316 -0.402 . . . . 0.01 110.852 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 47.7 m -79.78 136.48 36.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.871 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 4.4 m-85 -160.74 -47.45 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.916 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.304 -0.855 . . . . 1.0 110.917 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 77.3 m-85 . . . . . 0 N--CA 1.487 1.388 0 CA-C-O 120.814 0.34 . . . . 1.0 111.163 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 11.2 p -59.71 -42.14 87.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.058 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.88 -31.51 69.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.879 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 26.8 m -73.47 -22.23 60.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.084 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 7.2 t -57.99 128.92 39.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.98 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.408 ' CD1' ' N ' ' A' ' 7' ' ' LEU . 28.0 p90 -88.91 -44.65 10.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.925 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.408 ' N ' ' CD1' ' A' ' 6' ' ' TYR . 4.3 pp -75.73 143.62 75.35 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.916 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -74.93 -168.29 0.5 Allowed 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.568 2.179 . . . . 0.0 112.366 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 6.4 mtpp 60.14 38.32 20.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.944 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -137.38 -48.43 0.59 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.917 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -90.61 94.58 9.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.037 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -107.41 -31.97 7.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.119 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -142.02 29.72 1.66 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.189 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 58.41 30.58 19.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.194 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.7 t30 -89.67 110.32 21.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.864 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 10.9 p -63.68 -40.02 87.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.118 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.0 -50.45 74.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.055 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.75 -20.27 33.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.252 179.774 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 5.1 t60 -88.36 -64.2 1.18 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.358 -0.383 . . . . 0.01 110.765 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 8.9 tp -60.24 -19.0 17.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.892 -179.659 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 8.9 t -48.7 -47.01 41.34 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.801 0.334 . . . . 0.0 111.203 -179.824 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 23.8 p-80 -112.45 -29.84 7.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.259 -0.428 . . . . 0.01 110.993 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 22.4 m -75.92 128.07 34.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.984 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 6.9 m-85 -143.11 172.82 12.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.859 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.283 -0.865 . . . . 1.0 110.845 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 . . . . . 0 N--CA 1.486 1.355 0 CA-C-O 120.846 0.355 . . . . 1.0 111.242 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 11.4 p -58.48 -30.98 42.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.165 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.6 t -65.59 -30.44 71.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.931 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 2.9 m -109.33 27.18 9.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.101 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 49.1 t -65.06 156.29 31.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.859 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.436 ' CD1' ' N ' ' A' ' 7' ' ' LEU . 51.5 p90 -97.08 -46.87 6.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.008 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.436 ' N ' ' CD1' ' A' ' 6' ' ' TYR . 4.2 pp -85.44 144.12 39.93 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.896 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -76.09 176.89 9.46 Favored 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 122.509 2.139 . . . . 0.0 112.321 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 6.2 mmtp 60.26 44.95 11.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.918 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -122.77 -43.44 2.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.831 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -97.11 103.98 15.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.128 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -110.77 -31.83 7.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.192 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -142.95 29.98 1.47 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.155 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 58.79 77.29 0.31 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.15 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 5.0 t30 -137.91 119.65 15.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.803 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 11.9 p -73.14 -42.5 58.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.114 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.59 -51.0 71.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.026 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.5 -20.19 29.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.198 179.764 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 5.2 t60 -87.65 -64.84 1.09 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.286 -0.415 . . . . 0.01 110.813 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 9.2 tp -60.24 -23.21 26.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.773 -179.599 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 8.8 t -47.36 -45.27 24.69 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.757 0.313 . . . . 0.0 111.336 -179.718 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 20.6 p-80 -111.93 -31.79 6.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.365 -0.38 . . . . 0.01 110.973 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 26.2 m -75.54 133.9 40.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.859 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 9.6 m-85 -143.89 -47.64 0.28 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.948 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.076 0 CA-C-O 118.18 -0.914 . . . . 1.0 110.9 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 35.5 m-85 . . . . . 0 N--CA 1.485 1.318 0 CA-C-O 120.843 0.354 . . . . 1.0 111.178 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.42 ' HA ' ' CG ' ' A' ' 19' ' ' HIS . 11.6 p -58.97 -42.01 84.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.097 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.8 m -60.71 -29.12 69.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.954 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 2.7 m -107.91 24.2 13.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.118 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 51.2 t -65.07 156.17 32.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.73 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.408 ' CZ ' HD21 ' A' ' 7' ' ' LEU . 46.4 p90 -105.76 -48.29 3.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.073 -179.76 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.408 HD21 ' CZ ' ' A' ' 6' ' ' TYR . 4.6 pp -79.81 148.93 69.89 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.118 -179.883 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -71.33 -167.84 0.31 Allowed 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.584 2.189 . . . . 0.0 112.322 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 59.41 31.32 20.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.878 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -132.58 164.1 27.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.815 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . 61.05 82.33 0.17 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.108 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -110.83 -31.02 7.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.125 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -141.53 32.93 1.65 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.064 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 59.43 30.96 20.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.107 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 6.5 m120 -96.32 119.94 35.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.874 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 10.9 p -71.36 -40.08 72.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.084 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.63 -46.5 86.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.936 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.54 -20.14 29.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.321 179.73 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.42 ' CG ' ' HA ' ' A' ' 2' ' ' VAL . 6.5 t60 -87.28 -66.4 0.91 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.309 -0.405 . . . . 0.01 110.86 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 3.7 tt -60.01 -22.09 23.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.909 -179.474 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 7.8 t -48.28 -47.49 36.3 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.854 0.359 . . . . 0.0 111.186 -179.823 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 36.6 p-80 -109.22 -28.24 9.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.139 -0.482 . . . . 0.01 110.86 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 56.5 m -81.44 138.16 35.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.894 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -146.69 -57.79 0.28 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.911 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.258 -0.877 . . . . 1.0 110.95 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 . . . . . 0 N--CA 1.486 1.356 0 CA-C-O 120.843 0.354 . . . . 1.0 111.26 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.411 ' HA ' ' CG ' ' A' ' 19' ' ' HIS . 12.2 p -58.85 -42.84 86.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.11 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 t -59.49 -28.82 67.37 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.995 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 7.7 m -110.12 26.22 10.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.152 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 53.3 t -64.99 156.15 32.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.704 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 39.4 p90 -103.96 -47.8 4.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.118 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.6 pp -81.56 149.14 63.98 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.949 -179.841 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -71.37 -167.89 0.31 Allowed 'Trans proline' 0 C--N 1.345 0.342 0 C-N-CA 122.647 2.231 . . . . 0.0 112.38 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 59.48 30.72 20.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.835 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -131.59 171.26 13.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.878 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . 60.34 41.23 16.59 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.135 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -65.58 -30.89 71.68 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.095 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -146.8 30.95 0.96 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.156 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 59.26 31.23 21.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.074 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -94.32 120.81 35.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.923 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 11.2 p -67.11 -45.07 87.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.057 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.33 -47.64 83.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.906 179.807 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.34 -20.01 39.86 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.213 179.705 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.411 ' CG ' ' HA ' ' A' ' 2' ' ' VAL . 5.2 t60 -87.56 -65.29 1.03 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.391 -0.368 . . . . 0.01 110.895 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 2.8 tt -60.68 -22.07 25.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.959 -179.58 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 7.4 t -48.4 -47.31 37.76 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-O 120.769 0.319 . . . . 0.0 111.091 -179.759 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 39.0 p-80 -108.82 -28.21 9.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.01 110.854 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 59.7 m -81.86 134.61 35.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.918 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 10.2 m-85 -140.84 -54.55 0.49 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.905 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.25 1.099 0 CA-C-O 118.262 -0.875 . . . . 1.0 110.9 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 25.4 m-85 . . . . . 0 N--CA 1.485 1.325 0 CA-C-O 120.74 0.305 . . . . 1.0 111.247 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.408 ' HA ' ' CG ' ' A' ' 19' ' ' HIS . 12.4 p -58.54 -32.58 46.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.027 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.6 m -64.53 -29.66 70.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.989 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 3.0 m -107.49 24.0 13.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.162 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 51.9 t -65.04 156.5 31.23 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.704 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.429 ' CZ ' HD21 ' A' ' 7' ' ' LEU . 52.6 p90 -96.35 -37.92 10.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.055 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.429 HD21 ' CZ ' ' A' ' 6' ' ' TYR . 2.1 pp -97.1 143.13 25.6 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.921 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 68.5 Cg_endo -74.28 -176.26 2.61 Favored 'Trans proline' 0 C--N 1.346 0.407 0 C-N-CA 122.598 2.198 . . . . 0.0 112.345 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 21.4 mttt 59.36 31.08 20.84 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.982 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -115.1 -38.25 3.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.938 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -93.75 99.0 11.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.088 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -110.42 -31.25 7.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.063 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -146.95 31.0 0.95 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.143 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 59.43 30.86 20.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.157 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 37.5 m-20 -87.94 115.42 25.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.844 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 11.2 p -69.91 -43.29 79.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.079 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.31 -47.16 84.59 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.957 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.33 -19.72 37.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.281 179.62 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.408 ' CG ' ' HA ' ' A' ' 2' ' ' VAL . 6.3 t60 -88.34 -65.71 0.99 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.388 -0.369 . . . . 0.01 110.785 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 3.7 tt -60.21 -20.36 20.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.949 -179.528 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 6.5 t -49.26 -47.71 46.39 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-O 120.821 0.343 . . . . 0.0 111.12 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 20.9 p-80 -109.57 -29.38 8.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.255 -0.43 . . . . 0.01 110.874 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 46.4 m -78.81 107.7 11.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.855 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 -84.67 -67.86 0.76 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.919 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.03 0 CA-C-O 118.276 -0.869 . . . . 1.0 110.958 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.487 1.401 0 CA-C-O 120.753 0.311 . . . . 1.0 111.215 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 11.4 p -58.44 -31.18 42.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.099 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 37.7 m -72.79 -29.39 63.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.905 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.5 m -108.57 24.64 12.76 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.113 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 53.1 t -65.04 145.32 56.48 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.746 179.838 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.438 ' CD2' ' N ' ' A' ' 7' ' ' LEU . 47.3 p90 -93.94 -48.91 6.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.198 -179.881 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.438 ' N ' ' CD2' ' A' ' 6' ' ' TYR . 4.1 pp -78.14 145.74 69.73 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.939 -179.874 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 63.3 Cg_endo -73.41 -168.07 0.41 Allowed 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 122.634 2.223 . . . . 0.0 112.321 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 59.61 32.27 21.44 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.81 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -129.03 171.57 12.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.858 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . 60.98 43.95 10.95 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.098 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.62 -31.02 69.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.08 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -144.22 30.35 1.27 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.187 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 59.03 30.92 20.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.168 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -97.63 127.44 43.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.848 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 12.4 p -66.63 -44.32 89.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.13 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.03 -46.6 85.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.003 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.55 -19.64 39.62 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.304 179.636 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 6.1 t60 -88.06 -65.71 0.99 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.387 -0.369 . . . . 0.01 110.798 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 7.8 tt -60.25 -21.34 22.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.891 -179.539 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 6.6 t -48.49 -47.9 38.32 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-O 120.871 0.367 . . . . 0.0 111.218 -179.814 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 26.9 p-80 -109.07 -28.83 8.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.246 -0.434 . . . . 0.01 110.83 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 55.8 m -80.15 118.6 21.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.968 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -130.19 -176.74 4.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.865 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.6 ptpp? . . . . . 0 C--O 1.248 0.993 0 CA-C-O 118.205 -0.902 . . . . 1.0 110.893 -179.979 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 6.8 m-85 . . . . . 0 N--CA 1.487 1.397 0 CA-C-O 120.79 0.329 . . . . 1.0 111.209 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 11.6 p -59.71 -31.1 46.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.053 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.3 m -65.18 -30.96 71.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.94 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -108.35 26.96 9.83 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.03 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 50.0 t -65.03 156.33 31.77 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.875 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 50.8 p90 -97.05 -46.15 6.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.028 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.2 pp -86.57 145.28 39.09 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.007 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -76.17 -176.46 3.07 Favored 'Trans proline' 0 C--N 1.344 0.3 0 C-N-CA 122.586 2.19 . . . . 0.0 112.375 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 32.9 mttt 59.09 30.6 20.44 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.017 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -115.23 -35.71 4.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.991 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -84.16 57.37 4.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.146 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -111.91 -32.69 6.52 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.141 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -93.91 -20.37 20.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.274 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 66.84 31.24 7.42 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.82 0.343 . . . . 0.0 111.038 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -127.44 133.86 49.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.8 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 11.1 p -59.24 -41.1 82.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.137 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.31 -47.66 84.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.947 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.35 -19.68 37.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.269 179.761 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 5.3 t60 -87.96 -65.06 1.06 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.428 -0.351 . . . . 0.01 110.837 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.417 ' CG1' ' CE1' ' A' ' 24' ' ' TYR . 6.0 tt -61.39 -20.57 23.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.866 -179.47 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 6.5 t -48.52 -47.95 38.69 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.809 0.337 . . . . 0.0 111.188 -179.815 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 23.8 p-80 -108.87 -28.59 9.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 0.01 110.806 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 58.3 m -80.25 105.79 11.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.958 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.417 ' CE1' ' CG1' ' A' ' 20' ' ' ILE . 5.1 m-85 -140.68 -176.89 4.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.898 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 7.7 ptpp? . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.242 -0.885 . . . . 1.0 110.939 -179.995 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 1.6 t80 . . . . . 0 N--CA 1.486 1.352 0 CA-C-O 120.871 0.367 . . . . 1.0 111.148 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.407 ' HA ' ' CG ' ' A' ' 19' ' ' HIS . 11.4 p -58.95 -30.24 42.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.121 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.99 -29.06 60.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.017 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.5 m -103.15 16.82 25.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.312 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 47.2 t -65.2 130.13 42.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.88 0.371 . . . . 0.0 110.766 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.419 ' CZ ' HD22 ' A' ' 7' ' ' LEU . 52.1 p90 -86.88 -42.58 13.11 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.133 -179.852 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.419 HD22 ' CZ ' ' A' ' 6' ' ' TYR . 0.7 OUTLIER -76.34 145.48 76.22 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.941 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 62.6 Cg_endo -73.24 -168.28 0.42 Allowed 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 122.555 2.17 . . . . 0.0 112.396 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.2 tttp 59.52 38.05 22.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.913 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -139.97 166.5 24.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.91 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . 60.5 84.36 0.13 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.069 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -110.19 -31.15 7.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.129 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -138.13 30.49 2.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.127 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 59.19 30.89 20.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.124 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -98.78 129.52 45.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.853 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 11.1 p -75.35 -39.4 41.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.088 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.86 -45.15 90.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.993 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.36 -19.55 36.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.264 179.7 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.407 ' CG ' ' HA ' ' A' ' 2' ' ' VAL . 6.8 t60 -87.77 -66.41 0.92 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.355 -0.384 . . . . 0.01 110.868 -179.888 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 2.8 tt -59.79 -21.59 21.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.951 -179.545 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 7.0 t -48.29 -47.89 36.12 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.828 0.347 . . . . 0.0 111.195 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 25.6 p-80 -109.15 -29.04 8.72 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.176 -0.465 . . . . 0.01 110.891 179.844 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 56.1 m -80.17 120.78 24.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.925 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -133.74 147.84 51.36 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.887 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 28.5 mmtt . . . . . 0 C--O 1.249 1.033 0 CA-C-O 118.137 -0.935 . . . . 1.0 110.933 179.918 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 94.1 m-85 . . . . . 0 N--CA 1.487 1.378 0 CA-C-O 120.802 0.334 . . . . 1.0 111.153 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 11.3 p -71.66 -40.79 71.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.025 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 39.4 m -59.53 -32.05 69.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.78 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -75.37 -19.53 59.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.191 179.837 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 11.7 t -54.46 159.42 2.07 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.872 0.368 . . . . 0.0 111.048 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 8.4 p90 -126.05 -40.69 1.99 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.249 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -74.94 145.66 81.51 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.981 -179.734 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 45.3 Cg_exo -56.2 -165.3 0.02 OUTLIER 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 122.598 2.199 . . . . 0.0 112.272 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 57.16 30.88 19.06 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.949 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.3 m -151.52 158.61 43.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.899 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . 61.85 72.26 0.51 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.122 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -110.67 -31.04 7.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.083 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -149.85 31.03 0.71 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.122 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 60.18 78.97 0.25 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.09 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -145.76 120.05 9.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.883 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 12.0 p -72.52 -41.05 63.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.064 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.12 -50.04 75.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.042 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.46 -19.72 39.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.269 179.82 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 4.2 t60 -88.34 -63.79 1.24 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.817 0.341 . . . . 0.01 110.831 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 14.8 tt -61.81 -17.9 18.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.834 -179.582 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 9.7 t -49.96 -47.32 52.67 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.829 0.347 . . . . 0.0 111.118 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 18.6 p-80 -110.26 -30.31 7.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 0.01 110.806 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 47.4 m -76.91 124.72 28.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.873 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 7.3 m-85 -149.9 -176.46 5.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.915 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.248 1.023 0 CA-C-O 118.26 -0.876 . . . . 1.0 110.896 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 36.2 m-85 . . . . . 0 N--CA 1.487 1.388 0 CA-C-O 120.751 0.31 . . . . 1.0 111.192 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.41 ' HA ' ' CG ' ' A' ' 19' ' ' HIS . 11.1 p -70.67 -43.41 77.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.049 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 69.5 m -59.37 -43.04 92.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.893 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 44.4 p -63.01 -19.89 64.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.147 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 18.1 t -55.37 152.17 8.95 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.103 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.422 ' CD1' ' N ' ' A' ' 7' ' ' LEU . 8.4 p90 -119.6 -36.67 3.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.109 -179.793 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.422 ' N ' ' CD1' ' A' ' 6' ' ' TYR . 4.6 pp -74.83 142.79 77.18 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.036 -179.823 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 46.5 Cg_exo -56.0 -166.41 0.02 OUTLIER 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 122.529 2.152 . . . . 0.0 112.27 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 9.7 mptt 57.06 31.24 19.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.944 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.4 m -150.75 164.77 35.38 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.91 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . 60.91 38.85 17.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.042 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -78.39 -31.0 48.12 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.07 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -146.92 30.73 0.96 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.107 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 59.41 30.97 20.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.124 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 28.4 t-20 -93.64 118.16 31.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.853 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 12.4 p -70.52 -43.61 77.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.079 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.73 -47.0 86.12 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.94 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.9 -18.8 47.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.266 179.828 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.41 ' CG ' ' HA ' ' A' ' 2' ' ' VAL . 4.0 t60 -86.92 -64.08 1.21 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.858 0.361 . . . . 0.01 110.872 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 2.6 tt -62.39 -17.08 17.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.843 -179.503 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 9.0 t -51.71 -43.9 63.0 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.816 0.341 . . . . 0.0 111.14 -179.853 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 13.9 p-80 -112.95 -32.46 6.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.01 110.954 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 27.6 m -73.75 133.46 43.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.975 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -159.92 -175.51 5.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.807 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 8.0 ptpp? . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.25 -0.881 . . . . 1.0 110.88 -179.99 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 16.0 m-85 . . . . . 0 N--CA 1.487 1.414 0 CA-C-O 120.854 0.359 . . . . 1.0 111.202 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 11.2 p -59.42 -44.77 93.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.06 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.9 t -62.37 -30.0 70.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.925 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 7.9 m -112.02 29.93 7.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.01 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 50.5 t -65.06 149.7 49.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.784 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.448 ' CD1' ' N ' ' A' ' 7' ' ' LEU . 51.8 p90 -78.33 -48.35 15.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.2 -179.723 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.448 ' N ' ' CD1' ' A' ' 6' ' ' TYR . 4.6 pp -87.95 148.09 42.47 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.976 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 63.9 Cg_endo -73.54 -175.09 1.88 Allowed 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 122.603 2.202 . . . . 0.0 112.387 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 28.7 mttp 57.72 33.86 23.75 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.89 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -131.57 64.4 1.59 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.88 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -176.71 93.97 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.095 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -110.16 -31.21 7.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.132 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -156.21 30.57 0.34 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.155 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 59.29 32.83 22.23 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.136 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 7.2 m120 -84.94 119.63 25.59 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.909 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 12.1 p -72.4 -44.92 61.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.038 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.13 -47.55 82.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.979 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.3 -19.18 44.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.247 179.732 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 3.7 t60 -87.56 -64.41 1.15 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.392 -0.367 . . . . 0.01 110.932 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 11.7 tt -61.54 -22.46 28.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.822 -179.453 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 8.2 t -48.19 -47.4 35.35 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.922 0.392 . . . . 0.0 111.173 -179.841 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 31.1 p-80 -107.8 -28.42 9.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.125 -0.488 . . . . 0.01 110.847 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 67.0 m -81.81 109.06 15.85 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.938 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 8.8 m-85 -138.02 128.91 27.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.841 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.03 0 CA-C-O 118.247 -0.882 . . . . 1.0 110.894 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 . . . . . 0 N--CA 1.487 1.377 0 CA-C-O 120.862 0.363 . . . . 1.0 111.196 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.418 ' HA ' ' CG ' ' A' ' 19' ' ' HIS . 11.2 p -59.88 -30.83 46.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.126 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.6 t -61.83 -29.02 69.89 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.109 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -100.21 11.93 38.23 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.425 -179.897 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 43.6 t -65.15 153.7 40.14 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.817 0.341 . . . . 0.0 110.729 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.416 ' CE1' HD22 ' A' ' 7' ' ' LEU . 18.1 p90 -114.74 -44.56 3.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.024 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.416 HD22 ' CE1' ' A' ' 6' ' ' TYR . 1.8 pp -74.89 147.38 83.89 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.933 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -70.38 -168.11 0.28 Allowed 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.582 2.188 . . . . 0.0 112.406 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 59.52 31.46 21.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.851 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -135.24 162.32 32.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.878 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . 61.0 80.54 0.21 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.121 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -109.76 -31.29 7.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.069 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -139.35 31.15 2.13 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.111 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 59.58 30.81 20.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.143 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 6.1 t30 -97.35 121.99 39.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.904 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 11.2 p -71.2 -40.01 73.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.062 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.41 -45.37 88.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.94 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.67 -19.19 37.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.234 179.795 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.418 ' CG ' ' HA ' ' A' ' 2' ' ' VAL . 6.9 t60 -88.3 -66.5 0.91 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.385 -0.371 . . . . 0.01 110.818 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 3.2 tt -59.51 -20.69 19.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.869 -179.47 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 6.6 t -49.31 -47.87 46.69 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.835 0.35 . . . . 0.0 111.192 -179.81 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 20.8 p-80 -109.3 -29.84 8.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.455 . . . . 0.01 110.895 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 41.4 m -78.52 134.62 37.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.908 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -147.64 -62.86 0.27 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.9 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 11.1 pttm . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.251 -0.881 . . . . 1.0 110.932 179.995 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 45.7 m-85 . . . . . 0 N--CA 1.487 1.375 0 CA-C-O 120.837 0.351 . . . . 1.0 111.211 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.403 ' HA ' ' CG ' ' A' ' 19' ' ' HIS . 11.7 p -58.17 -34.48 49.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.126 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -64.61 -29.6 70.61 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.936 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 3.6 m -107.04 23.62 14.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.118 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 49.8 t -65.04 156.39 31.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.825 0.345 . . . . 0.0 110.706 179.833 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.413 ' CE2' HD21 ' A' ' 7' ' ' LEU . 18.3 p90 -110.48 -48.97 3.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.098 -179.869 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.413 HD21 ' CE2' ' A' ' 6' ' ' TYR . 3.4 pp -78.41 125.77 84.18 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.921 -179.861 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 48.3 Cg_exo -55.75 -166.81 0.02 OUTLIER 'Trans proline' 0 C--N 1.346 0.446 0 C-N-CA 122.441 2.094 . . . . 0.0 112.29 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 58.68 31.36 21.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.929 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -126.97 168.17 14.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.88 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . 60.88 92.43 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.091 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -110.19 -31.21 7.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.092 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -139.13 30.74 2.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.12 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 59.58 30.96 20.62 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.155 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -99.65 126.85 45.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.852 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 12.2 p -69.49 -39.32 78.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.02 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.68 -45.39 89.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.991 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.26 -19.57 35.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.306 179.706 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.403 ' CG ' ' HA ' ' A' ' 2' ' ' VAL . 6.7 t60 -87.79 -66.44 0.91 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.368 -0.378 . . . . 0.01 110.852 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 6.5 tt -59.75 -21.51 21.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.918 -179.533 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 7.1 t -48.39 -47.97 37.22 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.892 0.377 . . . . 0.0 111.146 -179.826 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 25.3 p-80 -109.02 -28.94 8.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 0.01 110.903 179.867 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 55.9 m -80.21 136.78 36.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.9 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 10.2 m-85 -154.9 -50.9 0.09 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.883 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.265 -0.874 . . . . 1.0 110.927 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 39.8 m-85 . . . . . 0 N--CA 1.486 1.344 0 CA-C-O 120.812 0.339 . . . . 1.0 111.193 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.427 ' HA ' ' CG ' ' A' ' 19' ' ' HIS . 11.1 p -58.99 -30.72 44.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.067 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.5 m -60.43 -29.02 68.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.972 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 6.1 m -98.94 11.7 38.13 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.381 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 33.0 t -65.07 143.37 57.96 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.753 0.311 . . . . 0.0 110.735 179.841 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 43.9 p90 -120.03 28.76 7.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.249 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -151.32 154.92 34.28 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.901 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -69.98 -173.1 0.68 Allowed 'Trans proline' 0 C--N 1.343 0.28 0 C-N-CA 122.553 2.169 . . . . 0.0 112.281 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 60.84 36.86 18.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.898 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -147.82 165.23 31.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.836 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . 60.95 75.19 0.42 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.157 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -110.73 -31.11 7.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.09 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -145.1 31.2 1.13 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.108 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 59.73 30.98 20.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.146 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 6.3 t-20 -96.51 112.89 24.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.915 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 11.3 p -64.89 -39.95 87.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.075 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.57 -46.35 87.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.022 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.84 -19.86 31.92 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.246 179.68 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.427 ' CG ' ' HA ' ' A' ' 2' ' ' VAL . 7.1 t60 -88.0 -66.76 0.88 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.332 -0.394 . . . . 0.01 110.83 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 9.4 tp -58.37 -23.3 21.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.881 -179.584 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 7.3 t -47.61 -47.46 28.85 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.675 0.274 . . . . 0.0 111.328 -179.701 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 20.2 p-80 -110.12 -29.76 8.06 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.403 -0.362 . . . . 0.01 110.997 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 30.2 m -78.29 137.72 38.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.923 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -146.62 -66.67 0.28 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.91 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 2.9 pttt . . . . . 0 C--O 1.25 1.115 0 CA-C-O 118.187 -0.911 . . . . 1.0 110.843 -179.941 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 . . . . . 0 N--CA 1.487 1.391 0 CA-C-O 120.837 0.351 . . . . 1.0 111.2 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.442 ' N ' ' CD2' ' A' ' 19' ' ' HIS . 10.7 p -59.47 -30.54 44.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.09 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -69.23 -28.37 66.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.004 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 19.2 m -110.66 25.6 11.6 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.185 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 53.6 t -65.07 156.31 31.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.813 0.339 . . . . 0.0 110.745 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 20.0 p90 -107.48 -48.43 3.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.035 -179.795 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.7 pp -79.15 148.69 71.77 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.056 -179.793 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -72.62 -167.85 0.36 Allowed 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.56 2.173 . . . . 0.0 112.325 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.2 mptt 58.9 30.87 20.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.871 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -129.49 161.5 30.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.797 -179.906 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . 61.25 38.94 16.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.068 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -61.26 -30.99 70.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.055 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -138.72 30.87 2.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.169 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 59.45 30.9 20.63 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.097 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 11.1 t30 -97.36 120.1 37.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.842 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 11.3 p -66.56 -42.17 89.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.072 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.59 -46.02 87.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.996 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.45 -20.17 42.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.207 179.73 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.442 ' CD2' ' N ' ' A' ' 2' ' ' VAL . 6.0 t60 -86.42 -65.66 0.99 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.436 -0.347 . . . . 0.01 110.802 -179.874 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 5.7 tt -57.83 -20.52 14.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.834 -179.641 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 13.3 t -55.21 -35.16 64.59 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.731 0.301 . . . . 0.0 111.378 -179.653 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 32.1 p-80 -130.96 13.42 5.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.468 -0.333 . . . . 0.01 111.599 -179.706 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 9.9 m -123.02 88.28 2.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.865 0.364 . . . . 0.0 110.987 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 85.9 m-85 -107.51 -68.15 0.91 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.874 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 3.6 ptpp? . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.246 -0.883 . . . . 1.0 110.933 -179.982 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 41.5 m-85 . . . . . 0 N--CA 1.486 1.374 0 CA-C-O 120.838 0.351 . . . . 1.0 111.175 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.407 ' HA ' ' CG ' ' A' ' 19' ' ' HIS . 11.5 p -58.99 -31.23 45.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.097 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.0 m -63.97 -30.18 71.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.967 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.3 p -108.38 25.92 11.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.089 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 52.3 t -65.08 156.28 32.05 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.783 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.419 ' CZ ' HD21 ' A' ' 7' ' ' LEU . 34.3 p90 -99.5 -47.12 5.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.008 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.419 HD21 ' CZ ' ' A' ' 6' ' ' TYR . 4.2 pp -82.69 141.18 44.45 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.853 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -75.51 173.38 14.59 Favored 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 122.517 2.144 . . . . 0.0 112.416 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 6.9 tttp 61.63 44.71 8.71 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.917 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.2 t -120.6 -45.16 2.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.912 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -81.81 108.19 15.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.083 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -109.65 -31.12 7.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.163 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -153.04 34.63 0.47 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.065 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 60.24 30.99 20.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.146 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -90.57 117.25 29.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.817 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 11.3 p -70.29 -41.05 78.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.116 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.93 -48.93 79.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.008 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.79 -20.68 37.15 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.253 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.407 ' CG ' ' HA ' ' A' ' 2' ' ' VAL . 4.8 t60 -86.35 -64.65 1.12 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.351 -0.386 . . . . 0.01 110.795 -179.909 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 8.1 tt -58.92 -19.85 16.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.837 -179.617 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 13.7 t -56.15 -32.1 63.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.706 0.289 . . . . 0.0 111.365 -179.617 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 30.3 p-80 -134.21 15.1 3.83 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.472 -0.331 . . . . 0.01 111.633 -179.715 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 7.9 m -124.33 116.7 23.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.793 0.33 . . . . 0.0 110.966 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 87.2 m-85 -136.36 -48.8 0.65 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.904 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.254 -0.879 . . . . 1.0 110.923 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 91.1 m-85 . . . . . 0 N--CA 1.486 1.375 0 CA-C-O 120.847 0.356 . . . . 1.0 111.187 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.415 ' HA ' ' CG ' ' A' ' 19' ' ' HIS . 11.3 p -59.86 -30.7 45.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.022 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.7 m -67.99 -30.48 69.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.97 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 2.6 m -107.16 24.78 12.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.127 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 53.6 t -64.97 135.4 55.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.86 179.829 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.412 ' CE2' HD21 ' A' ' 7' ' ' LEU . 47.1 p90 -59.54 -38.99 82.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.948 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.412 HD21 ' CE2' ' A' ' 6' ' ' TYR . 4.4 pp -104.74 148.58 36.3 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.876 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 67.8 Cg_endo -74.29 -30.96 7.93 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.615 2.21 . . . . 0.0 112.465 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 5.3 tttt -68.22 72.69 0.2 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.98 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -159.31 -63.24 0.07 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.841 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -59.65 96.59 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.112 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -110.7 -31.1 7.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.112 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -148.86 31.11 0.79 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.132 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 59.85 31.09 20.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.087 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -95.66 117.63 30.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.938 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 11.2 p -71.77 -41.59 70.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.083 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.78 -45.94 88.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.996 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.82 -20.07 47.03 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.165 179.847 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.415 ' CG ' ' HA ' ' A' ' 2' ' ' VAL . 4.1 t60 -85.84 -65.54 1.0 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.372 -0.376 . . . . 0.01 110.825 -179.886 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 2.7 tt -57.82 -20.73 15.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.791 -179.631 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 15.4 t -55.78 -33.8 64.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.66 0.266 . . . . 0.0 111.3 -179.619 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 28.6 p-80 -132.44 17.34 4.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.568 -0.287 . . . . 0.01 111.573 -179.749 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 6.1 m -126.28 111.02 14.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.83 0.348 . . . . 0.0 110.905 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 -144.09 -48.09 0.27 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.859 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.5 mmpt? . . . . . 0 C--O 1.248 0.998 0 CA-C-O 118.228 -0.892 . . . . 1.0 110.862 179.995 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 . . . . . 0 N--CA 1.486 1.34 0 CA-C-O 120.791 0.329 . . . . 0.0 111.231 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.621 HG22 ' HB2' ' A' ' 11' ' ' ALA . 11.3 p -59.02 -30.98 44.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.105 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 66.7 m -66.49 -30.53 70.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.902 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 43.7 p -109.65 27.59 9.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.021 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 50.4 t -65.07 156.3 31.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.779 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' TYR . . . . . 0.772 ' CE2' HD23 ' A' ' 7' ' ' LEU . 52.6 p90 -91.94 -45.92 8.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.079 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.772 HD23 ' CE2' ' A' ' 6' ' ' TYR . 4.7 pp -91.44 145.63 31.74 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.923 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -75.86 -179.16 4.91 Favored 'Trans proline' 0 C--N 1.343 0.273 0 C-N-CA 122.619 2.213 . . . . 0.0 112.36 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 7.9 mmtt 59.92 37.68 21.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.01 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -119.13 -41.26 2.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.887 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.621 ' HB2' HG22 ' A' ' 2' ' ' VAL . . . -88.4 101.09 13.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.089 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -110.52 -31.18 7.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.048 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -148.17 30.9 0.85 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.112 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 59.6 30.75 20.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.071 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -88.76 117.24 27.6 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.875 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.446 HG13 ' N ' ' A' ' 17' ' ' ALA . 11.2 p -70.2 -42.8 79.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.12 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.446 ' N ' HG13 ' A' ' 16' ' ' VAL . . . -58.43 -48.21 81.45 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.986 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.559 ' O ' HG22 ' A' ' 21' ' ' THR . . . -57.99 -20.01 35.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.221 179.713 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 5.7 t60 -88.2 -65.16 1.05 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.847 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 12.8 tt -60.92 -20.4 21.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.901 -179.585 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.559 HG22 ' O ' ' A' ' 18' ' ' ALA . 6.4 t -49.01 -47.63 44.31 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.85 0.357 . . . . 0.0 111.123 -179.786 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.423 ' N ' HG23 ' A' ' 21' ' ' THR . 21.7 p-80 -109.44 -29.0 8.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.915 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 54.3 m -79.53 123.69 27.8 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.954 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 20.3 m-85 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.961 179.998 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 11.2 m-85 . . . . . 0 N--CA 1.487 1.376 0 CA-C-O 120.84 0.352 . . . . 0.0 111.17 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.861 ' CG2' ' HB2' ' A' ' 11' ' ' ALA . 11.3 p -58.02 -40.55 77.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.121 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 3' ' ' SER . . . . . 0.405 ' N ' HG13 ' A' ' 2' ' ' VAL . 6.0 m -60.35 -29.82 69.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.848 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.3 p -108.95 26.48 10.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.095 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 54.0 t -65.07 152.87 42.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.73 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' TYR . . . . . 0.57 ' CE2' HD23 ' A' ' 7' ' ' LEU . 40.2 p90 -101.62 -49.34 4.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.127 -179.794 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.673 HD21 ' SG ' ' A' ' 23' ' ' CYS . 4.6 pp -80.46 146.71 62.07 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.007 -179.86 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.487 ' O ' HD12 ' A' ' 7' ' ' LEU . 60.7 Cg_endo -72.93 -168.19 0.4 Allowed 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.553 2.168 . . . . 0.0 112.298 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 14.5 mtpp 59.62 31.36 20.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.877 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -126.5 160.67 29.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.82 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.861 ' HB2' ' CG2' ' A' ' 2' ' ' VAL . . . 61.34 90.5 0.07 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.057 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -108.98 -31.13 7.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.098 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -140.7 30.75 1.87 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.114 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 59.34 77.86 0.29 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.189 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 37.1 t30 -147.57 125.41 11.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.827 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.418 HG13 ' N ' ' A' ' 17' ' ' ALA . 12.3 p -69.66 -41.29 80.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.138 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.418 ' N ' HG13 ' A' ' 16' ' ' VAL . . . -58.52 -47.23 84.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.044 179.868 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.543 ' O ' HG22 ' A' ' 21' ' ' THR . . . -57.91 -20.03 34.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.211 179.742 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.416 ' CG ' ' HA ' ' A' ' 2' ' ' VAL . 6.2 t60 -87.78 -65.87 0.97 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.879 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 3.4 tt -60.33 -21.49 22.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.906 -179.521 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.543 HG22 ' O ' ' A' ' 18' ' ' ALA . 6.9 t -48.4 -47.88 37.32 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.794 0.33 . . . . 0.0 111.147 -179.853 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.432 ' N ' HG23 ' A' ' 21' ' ' THR . 34.1 p-80 -109.03 -28.45 9.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.913 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.673 ' SG ' HD21 ' A' ' 7' ' ' LEU . 56.7 m -80.73 137.16 36.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.935 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 . . . . . 0 C--N 1.33 -0.259 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.928 179.976 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 55.4 m-85 . . . . . 0 N--CA 1.486 1.357 0 CA-C-O 120.895 0.378 . . . . 0.0 111.172 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.793 ' CG2' ' HB2' ' A' ' 11' ' ' ALA . 11.4 p -58.54 -36.39 59.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.078 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.5 m -60.43 -29.56 69.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.89 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.3 m -108.06 24.73 12.53 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.144 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 51.8 t -65.12 156.19 32.43 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.717 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' TYR . . . . . 0.518 ' CZ ' HD23 ' A' ' 7' ' ' LEU . 53.8 p90 -108.07 -47.75 3.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.108 -179.804 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.658 HD21 ' SG ' ' A' ' 23' ' ' CYS . 4.7 pp -81.34 147.25 59.8 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.028 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.569 ' O ' HD12 ' A' ' 7' ' ' LEU . 59.0 Cg_endo -71.89 -168.06 0.34 Allowed 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 122.563 2.175 . . . . 0.0 112.371 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 59.54 31.26 20.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.863 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -127.97 166.23 18.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.847 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.793 ' HB2' ' CG2' ' A' ' 2' ' ' VAL . . . 61.11 89.95 0.07 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.084 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -110.35 -31.0 7.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.102 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -145.63 35.06 1.04 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.071 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 59.7 31.1 20.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.053 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -97.03 109.98 22.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.891 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 10.9 p -60.72 -39.26 81.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.073 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.405 ' O ' ' HB ' ' A' ' 21' ' ' THR . . . -58.83 -45.47 89.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.006 179.877 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.553 ' O ' HG22 ' A' ' 21' ' ' THR . . . -58.16 -19.59 34.13 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.307 179.672 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.427 ' CG ' ' HA ' ' A' ' 2' ' ' VAL . 6.7 t60 -87.59 -66.59 0.9 Allowed 'General case' 0 CA--C 1.53 0.194 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.856 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 6.6 tt -59.49 -21.49 20.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.929 -179.526 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.553 HG22 ' O ' ' A' ' 18' ' ' ALA . 7.9 t -49.05 -47.25 44.97 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-O 120.755 0.312 . . . . 0.0 111.117 -179.777 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.424 ' N ' HG23 ' A' ' 21' ' ' THR . 36.5 p-80 -109.78 -29.0 8.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.852 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.658 ' SG ' HD21 ' A' ' 7' ' ' LEU . 47.7 m -79.78 136.48 36.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.871 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 4.4 m-85 . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.916 179.942 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 77.3 m-85 . . . . . 0 N--CA 1.487 1.388 0 CA-C-O 120.814 0.34 . . . . 0.0 111.163 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.696 HG22 ' HB2' ' A' ' 11' ' ' ALA . 11.2 p -59.71 -42.14 87.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.058 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 3' ' ' SER . . . . . 0.438 ' N ' HG13 ' A' ' 2' ' ' VAL . 0.3 OUTLIER -59.88 -31.51 69.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.879 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 26.8 m -73.47 -22.23 60.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.084 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 7.2 t -57.99 128.92 39.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.98 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' TYR . . . . . 0.408 ' CD1' ' N ' ' A' ' 7' ' ' LEU . 28.0 p90 -88.91 -44.65 10.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.925 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.609 HD12 ' O ' ' A' ' 8' ' ' PRO . 4.3 pp -75.73 143.62 75.35 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.916 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.609 ' O ' HD12 ' A' ' 7' ' ' LEU . 73.0 Cg_endo -74.93 -168.29 0.5 Allowed 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.568 2.179 . . . . 0.0 112.366 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 6.4 mtpp 60.14 38.32 20.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.944 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -137.38 -48.43 0.59 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.917 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.696 ' HB2' HG22 ' A' ' 2' ' ' VAL . . . -90.61 94.58 9.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.037 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -107.41 -31.97 7.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.119 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -142.02 29.72 1.66 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.189 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 58.41 30.58 19.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.194 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.7 t30 -89.67 110.32 21.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.864 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.401 HG13 ' N ' ' A' ' 17' ' ' ALA . 10.9 p -63.68 -40.02 87.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.118 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.401 ' N ' HG13 ' A' ' 16' ' ' VAL . . . -59.0 -50.45 74.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.055 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.601 ' O ' HG22 ' A' ' 21' ' ' THR . . . -57.75 -20.27 33.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.252 179.774 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 5.1 t60 -88.36 -64.2 1.18 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.765 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.754 HD12 ' O ' ' A' ' 23' ' ' CYS . 8.9 tp -60.24 -19.0 17.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.892 -179.659 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.601 HG22 ' O ' ' A' ' 18' ' ' ALA . 8.9 t -48.7 -47.01 41.34 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.801 0.334 . . . . 0.0 111.203 -179.824 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.438 ' N ' HG23 ' A' ' 21' ' ' THR . 23.8 p-80 -112.45 -29.84 7.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.993 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.754 ' O ' HD12 ' A' ' 20' ' ' ILE . 22.4 m -75.92 128.07 34.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.984 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 6.9 m-85 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.859 -179.954 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 . . . . . 0 N--CA 1.486 1.355 0 CA-C-O 120.846 0.355 . . . . 0.0 111.242 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.845 HG22 ' HB2' ' A' ' 11' ' ' ALA . 11.4 p -58.48 -30.98 42.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.165 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.6 t -65.59 -30.44 71.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.931 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 2.9 m -109.33 27.18 9.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.101 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 49.1 t -65.06 156.29 31.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.859 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' TYR . . . . . 0.524 ' CE1' HD23 ' A' ' 7' ' ' LEU . 51.5 p90 -97.08 -46.87 6.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.008 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.524 HD23 ' CE1' ' A' ' 6' ' ' TYR . 4.2 pp -85.44 144.12 39.93 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.896 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.478 ' O ' HD12 ' A' ' 7' ' ' LEU . 73.2 Cg_endo -76.09 176.89 9.46 Favored 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 122.509 2.139 . . . . 0.0 112.321 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 6.2 mmtp 60.26 44.95 11.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.918 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -122.77 -43.44 2.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.831 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.845 ' HB2' HG22 ' A' ' 2' ' ' VAL . . . -97.11 103.98 15.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.128 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -110.77 -31.83 7.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.192 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -142.95 29.98 1.47 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.155 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 58.79 77.29 0.31 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.15 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 5.0 t30 -137.91 119.65 15.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.803 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.441 HG13 ' N ' ' A' ' 17' ' ' ALA . 11.9 p -73.14 -42.5 58.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.114 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.441 ' N ' HG13 ' A' ' 16' ' ' VAL . . . -58.59 -51.0 71.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.026 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.574 ' O ' HG22 ' A' ' 21' ' ' THR . . . -57.5 -20.19 29.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.198 179.764 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.405 ' CG ' ' HA ' ' A' ' 2' ' ' VAL . 5.2 t60 -87.65 -64.84 1.09 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.813 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.439 HD12 ' O ' ' A' ' 23' ' ' CYS . 9.2 tp -60.24 -23.21 26.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.773 -179.599 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.574 HG22 ' O ' ' A' ' 18' ' ' ALA . 8.8 t -47.36 -45.27 24.69 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.757 0.313 . . . . 0.0 111.336 -179.718 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 20.6 p-80 -111.93 -31.79 6.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.973 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.496 ' SG ' HD21 ' A' ' 7' ' ' LEU . 26.2 m -75.54 133.9 40.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.859 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 9.6 m-85 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.948 179.971 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 35.5 m-85 . . . . . 0 N--CA 1.485 1.318 0 CA-C-O 120.843 0.354 . . . . 0.0 111.178 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.803 HG22 ' HB2' ' A' ' 11' ' ' ALA . 11.6 p -58.97 -42.01 84.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.097 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 3' ' ' SER . . . . . 0.431 ' N ' HG13 ' A' ' 2' ' ' VAL . 1.8 m -60.71 -29.12 69.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.954 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 2.7 m -107.91 24.2 13.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.118 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 51.2 t -65.07 156.17 32.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.73 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' TYR . . . . . 0.466 ' CZ ' HD23 ' A' ' 7' ' ' LEU . 46.4 p90 -105.76 -48.29 3.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.073 -179.76 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.687 HD21 ' SG ' ' A' ' 23' ' ' CYS . 4.6 pp -79.81 148.93 69.89 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.118 -179.883 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.592 ' O ' HD12 ' A' ' 7' ' ' LEU . 57.6 Cg_endo -71.33 -167.84 0.31 Allowed 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.584 2.189 . . . . 0.0 112.322 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 59.41 31.32 20.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.878 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -132.58 164.1 27.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.815 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.803 ' HB2' HG22 ' A' ' 2' ' ' VAL . . . 61.05 82.33 0.17 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.108 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -110.83 -31.02 7.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.125 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -141.53 32.93 1.65 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.064 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 59.43 30.96 20.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.107 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 6.5 m120 -96.32 119.94 35.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.874 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 10.9 p -71.36 -40.08 72.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.084 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.41 ' O ' ' HB ' ' A' ' 21' ' ' THR . . . -58.63 -46.5 86.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.936 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.548 ' O ' HG22 ' A' ' 21' ' ' THR . . . -57.54 -20.14 29.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.321 179.73 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.432 ' CG ' ' HA ' ' A' ' 2' ' ' VAL . 6.5 t60 -87.28 -66.4 0.91 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.86 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 3.7 tt -60.01 -22.09 23.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.909 -179.474 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.548 HG22 ' O ' ' A' ' 18' ' ' ALA . 7.8 t -48.28 -47.49 36.3 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.854 0.359 . . . . 0.0 111.186 -179.823 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.427 ' N ' HG23 ' A' ' 21' ' ' THR . 36.6 p-80 -109.22 -28.24 9.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.86 179.883 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.687 ' SG ' HD21 ' A' ' 7' ' ' LEU . 56.5 m -81.44 138.16 35.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.894 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.911 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 . . . . . 0 N--CA 1.486 1.356 0 CA-C-O 120.843 0.354 . . . . 0.0 111.26 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.681 HG22 ' HB2' ' A' ' 11' ' ' ALA . 12.2 p -58.85 -42.84 86.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.11 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 3' ' ' SER . . . . . 0.451 ' N ' HG13 ' A' ' 2' ' ' VAL . 1.4 t -59.49 -28.82 67.37 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.995 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.449 HG22 ' O ' ' A' ' 4' ' ' THR . 7.7 m -110.12 26.22 10.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.152 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 53.3 t -64.99 156.15 32.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.704 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' TYR . . . . . 0.517 ' CE2' HD23 ' A' ' 7' ' ' LEU . 39.4 p90 -103.96 -47.8 4.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.118 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.687 HD21 ' SG ' ' A' ' 23' ' ' CYS . 4.6 pp -81.56 149.14 63.98 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.949 -179.841 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.597 ' O ' HD12 ' A' ' 7' ' ' LEU . 58.2 Cg_endo -71.37 -167.89 0.31 Allowed 'Trans proline' 0 C--N 1.345 0.342 0 C-N-CA 122.647 2.231 . . . . 0.0 112.38 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 59.48 30.72 20.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.835 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -131.59 171.26 13.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.878 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.681 ' HB2' HG22 ' A' ' 2' ' ' VAL . . . 60.34 41.23 16.59 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.135 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -65.58 -30.89 71.68 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.095 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -146.8 30.95 0.96 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.156 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 59.26 31.23 21.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.074 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -94.32 120.81 35.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.923 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.48 HG13 ' N ' ' A' ' 17' ' ' ALA . 11.2 p -67.11 -45.07 87.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.057 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.48 ' N ' HG13 ' A' ' 16' ' ' VAL . . . -58.33 -47.64 83.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.906 179.807 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.551 ' O ' HG22 ' A' ' 21' ' ' THR . . . -58.34 -20.01 39.86 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.213 179.705 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.425 ' CG ' ' HA ' ' A' ' 2' ' ' VAL . 5.2 t60 -87.56 -65.29 1.03 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.895 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 2.8 tt -60.68 -22.07 25.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.959 -179.58 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.551 HG22 ' O ' ' A' ' 18' ' ' ALA . 7.4 t -48.4 -47.31 37.76 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-O 120.769 0.319 . . . . 0.0 111.091 -179.759 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.428 ' N ' HG23 ' A' ' 21' ' ' THR . 39.0 p-80 -108.82 -28.21 9.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.854 179.873 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.687 ' SG ' HD21 ' A' ' 7' ' ' LEU . 59.7 m -81.86 134.61 35.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.918 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 10.2 m-85 . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.905 179.993 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 25.4 m-85 . . . . . 0 N--CA 1.485 1.325 0 CA-C-O 120.74 0.305 . . . . 0.0 111.247 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.559 HG22 ' HB2' ' A' ' 11' ' ' ALA . 12.4 p -58.54 -32.58 46.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.027 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.6 m -64.53 -29.66 70.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.989 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 3.0 m -107.49 24.0 13.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.162 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 51.9 t -65.04 156.5 31.23 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.704 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' TYR . . . . . 0.774 ' CZ ' HD23 ' A' ' 7' ' ' LEU . 52.6 p90 -96.35 -37.92 10.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.055 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.774 HD23 ' CZ ' ' A' ' 6' ' ' TYR . 2.1 pp -97.1 143.13 25.6 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.921 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.685 ' O ' HD12 ' A' ' 7' ' ' LEU . 68.5 Cg_endo -74.28 -176.26 2.61 Favored 'Trans proline' 0 C--N 1.346 0.407 0 C-N-CA 122.598 2.198 . . . . 0.0 112.345 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 21.4 mttt 59.36 31.08 20.84 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.982 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -115.1 -38.25 3.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.938 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.559 ' HB2' HG22 ' A' ' 2' ' ' VAL . . . -93.75 99.0 11.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.088 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -110.42 -31.25 7.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.063 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -146.95 31.0 0.95 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.143 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 59.43 30.86 20.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.157 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 37.5 m-20 -87.94 115.42 25.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.844 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.453 HG13 ' N ' ' A' ' 17' ' ' ALA . 11.2 p -69.91 -43.29 79.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.079 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.453 ' N ' HG13 ' A' ' 16' ' ' VAL . . . -58.31 -47.16 84.59 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.957 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.556 ' O ' HG22 ' A' ' 21' ' ' THR . . . -58.33 -19.72 37.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.281 179.62 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.423 ' CG ' ' HA ' ' A' ' 2' ' ' VAL . 6.3 t60 -88.34 -65.71 0.99 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.785 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 3.7 tt -60.21 -20.36 20.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.949 -179.528 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.556 HG22 ' O ' ' A' ' 18' ' ' ALA . 6.5 t -49.26 -47.71 46.39 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-O 120.821 0.343 . . . . 0.0 111.12 -179.839 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.424 ' N ' HG23 ' A' ' 21' ' ' THR . 20.9 p-80 -109.57 -29.38 8.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.874 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.507 ' SG ' HD21 ' A' ' 7' ' ' LEU . 46.4 m -78.81 107.7 11.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.855 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.919 179.921 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.487 1.401 0 CA-C-O 120.753 0.311 . . . . 0.0 111.215 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.754 HG22 ' HB2' ' A' ' 11' ' ' ALA . 11.4 p -58.44 -31.18 42.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.099 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 37.7 m -72.79 -29.39 63.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.905 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.5 m -108.57 24.64 12.76 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.113 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 53.1 t -65.04 145.32 56.48 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.746 179.838 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' TYR . . . . . 0.658 ' CE2' HD23 ' A' ' 7' ' ' LEU . 47.3 p90 -93.94 -48.91 6.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.198 -179.881 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.722 HD21 ' SG ' ' A' ' 23' ' ' CYS . 4.1 pp -78.14 145.74 69.73 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.939 -179.874 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.446 ' O ' HD12 ' A' ' 7' ' ' LEU . 63.3 Cg_endo -73.41 -168.07 0.41 Allowed 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 122.634 2.223 . . . . 0.0 112.321 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 59.61 32.27 21.44 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.81 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -129.03 171.57 12.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.858 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.754 ' HB2' HG22 ' A' ' 2' ' ' VAL . . . 60.98 43.95 10.95 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.098 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.62 -31.02 69.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.08 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -144.22 30.35 1.27 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.187 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 59.03 30.92 20.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.168 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -97.63 127.44 43.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.848 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.47 HG13 ' N ' ' A' ' 17' ' ' ALA . 12.4 p -66.63 -44.32 89.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.13 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.47 ' N ' HG13 ' A' ' 16' ' ' VAL . . . -58.03 -46.6 85.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.003 179.884 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.543 ' O ' HG22 ' A' ' 21' ' ' THR . . . -58.55 -19.64 39.62 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.304 179.636 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.403 ' CG ' ' HA ' ' A' ' 2' ' ' VAL . 6.1 t60 -88.06 -65.71 0.99 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.798 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 7.8 tt -60.25 -21.34 22.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.891 -179.539 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.543 HG22 ' O ' ' A' ' 18' ' ' ALA . 6.6 t -48.49 -47.9 38.32 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-O 120.871 0.367 . . . . 0.0 111.218 -179.814 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.429 ' N ' HG23 ' A' ' 21' ' ' THR . 26.9 p-80 -109.07 -28.83 8.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.83 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.722 ' SG ' HD21 ' A' ' 7' ' ' LEU . 55.8 m -80.15 118.6 21.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.968 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.865 -179.96 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 6.8 m-85 . . . . . 0 N--CA 1.487 1.397 0 CA-C-O 120.79 0.329 . . . . 0.0 111.209 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 11.6 p -59.71 -31.1 46.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.053 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.3 m -65.18 -30.96 71.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.94 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -108.35 26.96 9.83 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.03 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 50.0 t -65.03 156.33 31.77 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.875 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' TYR . . . . . 0.493 ' CZ ' HD23 ' A' ' 7' ' ' LEU . 50.8 p90 -97.05 -46.15 6.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.028 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.584 HD21 ' SG ' ' A' ' 23' ' ' CYS . 4.2 pp -86.57 145.28 39.09 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.007 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.556 ' O ' HD12 ' A' ' 7' ' ' LEU . 72.8 Cg_endo -76.17 -176.46 3.07 Favored 'Trans proline' 0 C--N 1.344 0.3 0 C-N-CA 122.586 2.19 . . . . 0.0 112.375 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 32.9 mttt 59.09 30.6 20.44 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.017 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -115.23 -35.71 4.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.991 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -84.16 57.37 4.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.146 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -111.91 -32.69 6.52 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.141 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.404 ' O ' ' HB3' ' A' ' 14' ' ' ALA . . . -93.91 -20.37 20.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.274 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.404 ' HB3' ' O ' ' A' ' 13' ' ' ALA . . . 66.84 31.24 7.42 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.82 0.343 . . . . 0.0 111.038 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -127.44 133.86 49.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.8 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.408 HG13 ' N ' ' A' ' 17' ' ' ALA . 11.1 p -59.24 -41.1 82.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.137 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.408 ' N ' HG13 ' A' ' 16' ' ' VAL . . . -59.31 -47.66 84.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.947 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.551 ' O ' HG22 ' A' ' 21' ' ' THR . . . -58.35 -19.68 37.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.269 179.761 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 5.3 t60 -87.96 -65.06 1.06 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.837 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.417 ' CG1' ' CE1' ' A' ' 24' ' ' TYR . 6.0 tt -61.39 -20.57 23.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.866 -179.47 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.551 HG22 ' O ' ' A' ' 18' ' ' ALA . 6.5 t -48.52 -47.95 38.69 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.809 0.337 . . . . 0.0 111.188 -179.815 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.431 ' N ' HG23 ' A' ' 21' ' ' THR . 23.8 p-80 -108.87 -28.59 9.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.806 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.584 ' SG ' HD21 ' A' ' 7' ' ' LEU . 58.3 m -80.25 105.79 11.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.958 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.417 ' CE1' ' CG1' ' A' ' 20' ' ' ILE . 5.1 m-85 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.898 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 1.6 t80 . . . . . 0 N--CA 1.486 1.352 0 CA-C-O 120.871 0.367 . . . . 0.0 111.148 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.611 HG22 ' HB2' ' A' ' 11' ' ' ALA . 11.4 p -58.95 -30.24 42.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.121 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.99 -29.06 60.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.017 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.5 m -103.15 16.82 25.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.312 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 47.2 t -65.2 130.13 42.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.88 0.371 . . . . 0.0 110.766 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 52.1 p90 -86.88 -42.58 13.11 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.133 -179.852 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.769 HD21 ' SG ' ' A' ' 23' ' ' CYS . 0.7 OUTLIER -76.34 145.48 76.22 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.941 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 62.6 Cg_endo -73.24 -168.28 0.42 Allowed 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 122.555 2.17 . . . . 0.0 112.396 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.2 tttp 59.52 38.05 22.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.913 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -139.97 166.5 24.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.91 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.611 ' HB2' HG22 ' A' ' 2' ' ' VAL . . . 60.5 84.36 0.13 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.069 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -110.19 -31.15 7.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.129 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -138.13 30.49 2.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.127 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 59.19 30.89 20.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.124 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -98.78 129.52 45.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.853 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 11.1 p -75.35 -39.4 41.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.088 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.86 -45.15 90.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.993 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.543 ' O ' HG22 ' A' ' 21' ' ' THR . . . -58.36 -19.55 36.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.264 179.7 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.421 ' CG ' ' HA ' ' A' ' 2' ' ' VAL . 6.8 t60 -87.77 -66.41 0.92 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.868 -179.888 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 2.8 tt -59.79 -21.59 21.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.951 -179.545 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.543 HG22 ' O ' ' A' ' 18' ' ' ALA . 7.0 t -48.29 -47.89 36.12 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.828 0.347 . . . . 0.0 111.195 -179.851 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.429 ' N ' HG23 ' A' ' 21' ' ' THR . 25.6 p-80 -109.15 -29.04 8.72 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.891 179.844 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.769 ' SG ' HD21 ' A' ' 7' ' ' LEU . 56.1 m -80.17 120.78 24.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.925 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.33 -0.244 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.887 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 94.1 m-85 . . . . . 0 N--CA 1.487 1.378 0 CA-C-O 120.802 0.334 . . . . 0.0 111.153 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.635 HG22 ' HB2' ' A' ' 11' ' ' ALA . 11.3 p -71.66 -40.79 71.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.025 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 3' ' ' SER . . . . . 0.406 ' N ' HG13 ' A' ' 2' ' ' VAL . 39.4 m -59.53 -32.05 69.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.78 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -75.37 -19.53 59.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.191 179.837 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 11.7 t -54.46 159.42 2.07 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.872 0.368 . . . . 0.0 111.048 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 8.4 p90 -126.05 -40.69 1.99 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.249 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.49 ' H ' HD23 ' A' ' 7' ' ' LEU . 0.7 OUTLIER -74.94 145.66 81.51 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.981 -179.734 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 45.3 Cg_exo -56.2 -165.3 0.02 OUTLIER 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 122.598 2.199 . . . . 0.0 112.272 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 57.16 30.88 19.06 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.949 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.3 m -151.52 158.61 43.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.899 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.635 ' HB2' HG22 ' A' ' 2' ' ' VAL . . . 61.85 72.26 0.51 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.122 -179.901 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -110.67 -31.04 7.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.083 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -149.85 31.03 0.71 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.122 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 60.18 78.97 0.25 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.09 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -145.76 120.05 9.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.883 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.42 HG13 ' N ' ' A' ' 17' ' ' ALA . 12.0 p -72.52 -41.05 63.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.064 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.42 ' N ' HG13 ' A' ' 16' ' ' VAL . . . -59.12 -50.04 75.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.042 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.585 ' O ' HG22 ' A' ' 21' ' ' THR . . . -58.46 -19.72 39.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.269 179.82 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 4.2 t60 -88.34 -63.79 1.24 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.817 0.341 . . . . 0.0 110.831 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 14.8 tt -61.81 -17.9 18.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.834 -179.582 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.585 HG22 ' O ' ' A' ' 18' ' ' ALA . 9.7 t -49.96 -47.32 52.67 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.829 0.347 . . . . 0.0 111.118 -179.858 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.443 ' N ' HG23 ' A' ' 21' ' ' THR . 18.6 p-80 -110.26 -30.31 7.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.806 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.48 ' SG ' HD21 ' A' ' 7' ' ' LEU . 47.4 m -76.91 124.72 28.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.873 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 7.3 m-85 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.915 179.998 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 36.2 m-85 . . . . . 0 N--CA 1.487 1.388 0 CA-C-O 120.751 0.31 . . . . 0.0 111.192 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.482 HG23 ' HB2' ' A' ' 19' ' ' HIS . 11.1 p -70.67 -43.41 77.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.049 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 3' ' ' SER . . . . . 0.464 ' N ' HG13 ' A' ' 2' ' ' VAL . 69.5 m -59.37 -43.04 92.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.893 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 44.4 p -63.01 -19.89 64.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.147 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 18.1 t -55.37 152.17 8.95 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.103 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' TYR . . . . . 0.422 ' CD1' ' N ' ' A' ' 7' ' ' LEU . 8.4 p90 -119.6 -36.67 3.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.109 -179.793 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.719 HD12 ' O ' ' A' ' 8' ' ' PRO . 4.6 pp -74.83 142.79 77.18 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.036 -179.823 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.719 ' O ' HD12 ' A' ' 7' ' ' LEU . 46.5 Cg_exo -56.0 -166.41 0.02 OUTLIER 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 122.529 2.152 . . . . 0.0 112.27 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 9.7 mptt 57.06 31.24 19.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.944 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.4 m -150.75 164.77 35.38 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.91 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . 60.91 38.85 17.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.042 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -78.39 -31.0 48.12 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.07 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -146.92 30.73 0.96 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.107 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 59.41 30.97 20.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.124 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 28.4 t-20 -93.64 118.16 31.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.853 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.46 HG13 ' N ' ' A' ' 17' ' ' ALA . 12.4 p -70.52 -43.61 77.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.079 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.46 ' N ' HG13 ' A' ' 16' ' ' VAL . . . -58.73 -47.0 86.12 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.94 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.615 ' O ' HG22 ' A' ' 21' ' ' THR . . . -59.9 -18.8 47.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.266 179.828 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.482 ' HB2' HG23 ' A' ' 2' ' ' VAL . 4.0 t60 -86.92 -64.08 1.21 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.858 0.361 . . . . 0.0 110.872 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 2.6 tt -62.39 -17.08 17.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.843 -179.503 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.615 HG22 ' O ' ' A' ' 18' ' ' ALA . 9.0 t -51.71 -43.9 63.0 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.816 0.341 . . . . 0.0 111.14 -179.853 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 13.9 p-80 -112.95 -32.46 6.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.954 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.444 ' SG ' HD21 ' A' ' 7' ' ' LEU . 27.6 m -73.75 133.46 43.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.975 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.807 -179.963 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 16.0 m-85 . . . . . 0 N--CA 1.487 1.414 0 CA-C-O 120.854 0.359 . . . . 0.0 111.202 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.49 HG13 ' N ' ' A' ' 3' ' ' SER . 11.2 p -59.42 -44.77 93.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.06 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 3' ' ' SER . . . . . 0.49 ' N ' HG13 ' A' ' 2' ' ' VAL . 8.9 t -62.37 -30.0 70.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.925 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.437 HG22 ' O ' ' A' ' 4' ' ' THR . 7.9 m -112.02 29.93 7.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.01 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 50.5 t -65.06 149.7 49.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.784 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' TYR . . . . . 0.763 ' CE1' HD23 ' A' ' 7' ' ' LEU . 51.8 p90 -78.33 -48.35 15.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.2 -179.723 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.763 HD23 ' CE1' ' A' ' 6' ' ' TYR . 4.6 pp -87.95 148.09 42.47 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.976 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.53 ' O ' HD12 ' A' ' 7' ' ' LEU . 63.9 Cg_endo -73.54 -175.09 1.88 Allowed 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 122.603 2.202 . . . . 0.0 112.387 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 28.7 mttp 57.72 33.86 23.75 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.89 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -131.57 64.4 1.59 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.88 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -176.71 93.97 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.095 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -110.16 -31.21 7.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.132 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -156.21 30.57 0.34 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.155 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 59.29 32.83 22.23 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.136 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 7.2 m120 -84.94 119.63 25.59 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.909 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.49 HG13 ' N ' ' A' ' 17' ' ' ALA . 12.1 p -72.4 -44.92 61.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.038 -179.905 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.49 ' N ' HG13 ' A' ' 16' ' ' VAL . . . -58.13 -47.55 82.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.979 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.556 ' O ' HG22 ' A' ' 21' ' ' THR . . . -59.3 -19.18 44.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.247 179.732 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 3.7 t60 -87.56 -64.41 1.15 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.932 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 11.7 tt -61.54 -22.46 28.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.822 -179.453 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.556 HG22 ' O ' ' A' ' 18' ' ' ALA . 8.2 t -48.19 -47.4 35.35 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.922 0.392 . . . . 0.0 111.173 -179.841 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.436 ' N ' HG23 ' A' ' 21' ' ' THR . 31.1 p-80 -107.8 -28.42 9.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.847 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 67.0 m -81.81 109.06 15.85 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.938 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 8.8 m-85 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.841 179.979 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 . . . . . 0 N--CA 1.487 1.377 0 CA-C-O 120.862 0.363 . . . . 0.0 111.196 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.747 HG22 ' HB2' ' A' ' 11' ' ' ALA . 11.2 p -59.88 -30.83 46.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.126 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.6 t -61.83 -29.02 69.89 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.109 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -100.21 11.93 38.23 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.425 -179.897 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 43.6 t -65.15 153.7 40.14 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.817 0.341 . . . . 0.0 110.729 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' TYR . . . . . 0.665 ' CE1' HD23 ' A' ' 7' ' ' LEU . 18.1 p90 -114.74 -44.56 3.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.024 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.665 HD23 ' CE1' ' A' ' 6' ' ' TYR . 1.8 pp -74.89 147.38 83.89 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.933 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.408 ' O ' HD12 ' A' ' 7' ' ' LEU . 56.3 Cg_endo -70.38 -168.11 0.28 Allowed 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.582 2.188 . . . . 0.0 112.406 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 59.52 31.46 21.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.851 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -135.24 162.32 32.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.878 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.747 ' HB2' HG22 ' A' ' 2' ' ' VAL . . . 61.0 80.54 0.21 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.121 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -109.76 -31.29 7.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.069 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -139.35 31.15 2.13 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.111 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 59.58 30.81 20.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.143 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 6.1 t30 -97.35 121.99 39.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.904 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 11.2 p -71.2 -40.01 73.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.062 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.4 ' O ' ' HB ' ' A' ' 21' ' ' THR . . . -58.41 -45.37 88.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.94 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.549 ' O ' HG22 ' A' ' 21' ' ' THR . . . -58.67 -19.19 37.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.234 179.795 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.428 ' CG ' ' HA ' ' A' ' 2' ' ' VAL . 6.9 t60 -88.3 -66.5 0.91 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.818 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 3.2 tt -59.51 -20.69 19.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.869 -179.47 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.549 HG22 ' O ' ' A' ' 18' ' ' ALA . 6.6 t -49.31 -47.87 46.69 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.835 0.35 . . . . 0.0 111.192 -179.81 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.424 ' N ' HG23 ' A' ' 21' ' ' THR . 20.8 p-80 -109.3 -29.84 8.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.895 179.882 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.593 ' SG ' HD21 ' A' ' 7' ' ' LEU . 41.4 m -78.52 134.62 37.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.908 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.9 -179.992 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 45.7 m-85 . . . . . 0 N--CA 1.487 1.375 0 CA-C-O 120.837 0.351 . . . . 0.0 111.211 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.806 ' CG2' ' HB2' ' A' ' 11' ' ' ALA . 11.7 p -58.17 -34.48 49.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.126 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -64.61 -29.6 70.61 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.936 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 3.6 m -107.04 23.62 14.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.118 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 49.8 t -65.04 156.39 31.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.825 0.345 . . . . 0.0 110.706 179.833 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' TYR . . . . . 0.727 ' CE2' HD23 ' A' ' 7' ' ' LEU . 18.3 p90 -110.48 -48.97 3.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.098 -179.869 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.727 HD23 ' CE2' ' A' ' 6' ' ' TYR . 3.4 pp -78.41 125.77 84.18 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.921 -179.861 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 48.3 Cg_exo -55.75 -166.81 0.02 OUTLIER 'Trans proline' 0 C--N 1.346 0.446 0 C-N-CA 122.441 2.094 . . . . 0.0 112.29 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 58.68 31.36 21.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.929 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -126.97 168.17 14.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.88 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.806 ' HB2' ' CG2' ' A' ' 2' ' ' VAL . . . 60.88 92.43 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.091 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -110.19 -31.21 7.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.092 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -139.13 30.74 2.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.12 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 59.58 30.96 20.62 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.155 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -99.65 126.85 45.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.852 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 12.2 p -69.49 -39.32 78.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.02 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.68 -45.39 89.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.991 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.543 ' O ' HG22 ' A' ' 21' ' ' THR . . . -58.26 -19.57 35.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.306 179.706 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.416 ' CG ' ' HA ' ' A' ' 2' ' ' VAL . 6.7 t60 -87.79 -66.44 0.91 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.852 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 6.5 tt -59.75 -21.51 21.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.918 -179.533 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.543 HG22 ' O ' ' A' ' 18' ' ' ALA . 7.1 t -48.39 -47.97 37.22 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.892 0.377 . . . . 0.0 111.146 -179.826 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.432 ' N ' HG23 ' A' ' 21' ' ' THR . 25.3 p-80 -109.02 -28.94 8.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.903 179.867 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.677 ' SG ' HD21 ' A' ' 7' ' ' LEU . 55.9 m -80.21 136.78 36.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.9 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 10.2 m-85 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.883 179.995 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 1' ' ' PHE . . . . . 0.654 ' HA ' HG23 ' A' ' 16' ' ' VAL . 39.8 m-85 . . . . . 0 N--CA 1.486 1.344 0 CA-C-O 120.812 0.339 . . . . 0.0 111.193 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.579 HG22 ' HB2' ' A' ' 11' ' ' ALA . 11.1 p -58.99 -30.72 44.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.067 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.5 m -60.43 -29.02 68.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.972 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.401 HG22 ' O ' ' A' ' 4' ' ' THR . 6.1 m -98.94 11.7 38.13 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.381 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 33.0 t -65.07 143.37 57.96 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.753 0.311 . . . . 0.0 110.735 179.841 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 43.9 p90 -120.03 28.76 7.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.249 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.641 HD11 ' SG ' ' A' ' 23' ' ' CYS . 0.7 OUTLIER -151.32 154.92 34.28 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.901 179.929 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -69.98 -173.1 0.68 Allowed 'Trans proline' 0 C--N 1.343 0.28 0 C-N-CA 122.553 2.169 . . . . 0.0 112.281 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 60.84 36.86 18.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.898 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -147.82 165.23 31.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.836 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.579 ' HB2' HG22 ' A' ' 2' ' ' VAL . . . 60.95 75.19 0.42 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.157 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -110.73 -31.11 7.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.09 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -145.1 31.2 1.13 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.108 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 59.73 30.98 20.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.146 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 6.3 t-20 -96.51 112.89 24.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.915 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.654 HG23 ' HA ' ' A' ' 1' ' ' PHE . 11.3 p -64.89 -39.95 87.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.075 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.405 ' O ' ' HB ' ' A' ' 21' ' ' THR . . . -58.57 -46.35 87.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.022 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.548 ' O ' HG22 ' A' ' 21' ' ' THR . . . -57.84 -19.86 31.92 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.246 179.68 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.44 ' CG ' ' HA ' ' A' ' 2' ' ' VAL . 7.1 t60 -88.0 -66.76 0.88 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.83 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.427 HD12 ' O ' ' A' ' 23' ' ' CYS . 9.4 tp -58.37 -23.3 21.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.881 -179.584 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.548 HG22 ' O ' ' A' ' 18' ' ' ALA . 7.3 t -47.61 -47.46 28.85 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.675 0.274 . . . . 0.0 111.328 -179.701 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.424 ' N ' HG23 ' A' ' 21' ' ' THR . 20.2 p-80 -110.12 -29.76 8.06 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.997 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.641 ' SG ' HD11 ' A' ' 7' ' ' LEU . 30.2 m -78.29 137.72 38.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.923 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.91 -179.943 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 . . . . . 0 N--CA 1.487 1.391 0 CA-C-O 120.837 0.351 . . . . 0.0 111.2 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.864 HG22 ' HB2' ' A' ' 11' ' ' ALA . 10.7 p -59.47 -30.54 44.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.09 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -69.23 -28.37 66.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.004 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.522 HG22 ' O ' ' A' ' 4' ' ' THR . 19.2 m -110.66 25.6 11.6 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.185 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 53.6 t -65.07 156.31 31.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.813 0.339 . . . . 0.0 110.745 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' TYR . . . . . 0.423 ' CE2' HD23 ' A' ' 7' ' ' LEU . 20.0 p90 -107.48 -48.43 3.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.035 -179.795 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.672 HD21 ' SG ' ' A' ' 23' ' ' CYS . 4.7 pp -79.15 148.69 71.77 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.056 -179.793 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.539 ' O ' HD12 ' A' ' 7' ' ' LEU . 60.8 Cg_endo -72.62 -167.85 0.36 Allowed 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.56 2.173 . . . . 0.0 112.325 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.2 mptt 58.9 30.87 20.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.871 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -129.49 161.5 30.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.797 -179.906 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.864 ' HB2' HG22 ' A' ' 2' ' ' VAL . . . 61.25 38.94 16.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.068 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -61.26 -30.99 70.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.055 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -138.72 30.87 2.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.169 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 59.45 30.9 20.63 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.097 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 11.1 t30 -97.36 120.1 37.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.842 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.435 HG13 ' N ' ' A' ' 17' ' ' ALA . 11.3 p -66.56 -42.17 89.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.072 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.435 ' N ' HG13 ' A' ' 16' ' ' VAL . . . -58.59 -46.02 87.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.996 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.653 ' O ' HG22 ' A' ' 21' ' ' THR . . . -58.45 -20.17 42.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.207 179.73 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.442 ' CD2' ' N ' ' A' ' 2' ' ' VAL . 6.0 t60 -86.42 -65.66 0.99 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.802 -179.874 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 5.7 tt -57.83 -20.52 14.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.834 -179.641 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.653 HG22 ' O ' ' A' ' 18' ' ' ALA . 13.3 t -55.21 -35.16 64.59 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.731 0.301 . . . . 0.0 111.378 -179.653 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 32.1 p-80 -130.96 13.42 5.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.599 -179.706 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.672 ' SG ' HD21 ' A' ' 7' ' ' LEU . 9.9 m -123.02 88.28 2.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.865 0.364 . . . . 0.0 110.987 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 85.9 m-85 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.874 -179.951 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 1' ' ' PHE . . . . . 0.43 ' HA ' HG23 ' A' ' 16' ' ' VAL . 41.5 m-85 . . . . . 0 N--CA 1.486 1.374 0 CA-C-O 120.838 0.351 . . . . 0.0 111.175 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.508 HG22 ' HB2' ' A' ' 11' ' ' ALA . 11.5 p -58.99 -31.23 45.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.097 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.0 m -63.97 -30.18 71.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.967 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.3 p -108.38 25.92 11.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.089 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 52.3 t -65.08 156.28 32.05 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.783 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' TYR . . . . . 0.712 ' CE2' HD23 ' A' ' 7' ' ' LEU . 34.3 p90 -99.5 -47.12 5.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.008 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.712 HD23 ' CE2' ' A' ' 6' ' ' TYR . 4.2 pp -82.69 141.18 44.45 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.853 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -75.51 173.38 14.59 Favored 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 122.517 2.144 . . . . 0.0 112.416 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 6.9 tttp 61.63 44.71 8.71 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.917 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.2 t -120.6 -45.16 2.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.912 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.508 ' HB2' HG22 ' A' ' 2' ' ' VAL . . . -81.81 108.19 15.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.083 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -109.65 -31.12 7.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.163 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -153.04 34.63 0.47 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.065 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 60.24 30.99 20.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.146 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -90.57 117.25 29.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.817 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.43 HG23 ' HA ' ' A' ' 1' ' ' PHE . 11.3 p -70.29 -41.05 78.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.116 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.42 ' N ' HG13 ' A' ' 16' ' ' VAL . . . -58.93 -48.93 79.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.008 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.651 ' O ' HG22 ' A' ' 21' ' ' THR . . . -57.79 -20.68 37.15 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.253 179.891 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.421 ' CG ' ' HA ' ' A' ' 2' ' ' VAL . 4.8 t60 -86.35 -64.65 1.12 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.795 -179.909 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 8.1 tt -58.92 -19.85 16.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.837 -179.617 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.651 HG22 ' O ' ' A' ' 18' ' ' ALA . 13.7 t -56.15 -32.1 63.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.706 0.289 . . . . 0.0 111.365 -179.617 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 30.3 p-80 -134.21 15.1 3.83 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.633 -179.715 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.658 ' SG ' HD21 ' A' ' 7' ' ' LEU . 7.9 m -124.33 116.7 23.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.793 0.33 . . . . 0.0 110.966 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 87.2 m-85 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.904 -179.975 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 91.1 m-85 . . . . . 0 N--CA 1.486 1.375 0 CA-C-O 120.847 0.356 . . . . 0.0 111.187 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.431 ' HA ' ' CG ' ' A' ' 19' ' ' HIS . 11.3 p -59.86 -30.7 45.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.022 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.7 m -67.99 -30.48 69.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.97 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 2.6 m -107.16 24.78 12.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.127 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 53.6 t -64.97 135.4 55.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.86 179.829 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' TYR . . . . . 0.857 ' CE2' HD23 ' A' ' 7' ' ' LEU . 47.1 p90 -59.54 -38.99 82.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.948 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.857 HD23 ' CE2' ' A' ' 6' ' ' TYR . 4.4 pp -104.74 148.58 36.3 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.876 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 67.8 Cg_endo -74.29 -30.96 7.93 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.615 2.21 . . . . 0.0 112.465 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 5.3 tttt -68.22 72.69 0.2 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.98 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -159.31 -63.24 0.07 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.841 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -59.65 96.59 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.112 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -110.7 -31.1 7.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.112 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -148.86 31.11 0.79 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.132 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 59.85 31.09 20.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.087 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -95.66 117.63 30.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.938 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.427 HG13 ' N ' ' A' ' 17' ' ' ALA . 11.2 p -71.77 -41.59 70.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.083 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.427 ' N ' HG13 ' A' ' 16' ' ' VAL . . . -58.78 -45.94 88.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.996 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.657 ' O ' HG22 ' A' ' 21' ' ' THR . . . -58.82 -20.07 47.03 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.165 179.847 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.431 ' CG ' ' HA ' ' A' ' 2' ' ' VAL . 4.1 t60 -85.84 -65.54 1.0 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.825 -179.886 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 2.7 tt -57.82 -20.73 15.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.791 -179.631 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.657 HG22 ' O ' ' A' ' 18' ' ' ALA . 15.4 t -55.78 -33.8 64.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.66 0.266 . . . . 0.0 111.3 -179.619 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 28.6 p-80 -132.44 17.34 4.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.568 -0.287 . . . . 0.0 111.573 -179.749 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 6.1 m -126.28 111.02 14.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.83 0.348 . . . . 0.0 110.905 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.859 179.977 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 . . . . . 0 N--CA 1.486 1.34 0 CA-C-O 120.791 0.329 . . . . 0.0 111.231 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.621 HG22 ' HB2' ' A' ' 11' ' ' ALA . 11.3 p -59.02 -30.98 44.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.105 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 66.7 m -66.49 -30.53 70.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.902 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 43.7 p -109.65 27.59 9.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.021 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 50.4 t -65.07 156.3 31.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.779 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.772 ' CE2' HD23 ' A' ' 7' ' ' LEU . 52.6 p90 -91.94 -45.92 8.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.079 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.772 HD23 ' CE2' ' A' ' 6' ' ' TYR . 4.7 pp -91.44 145.63 31.74 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.923 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -75.86 -179.16 4.91 Favored 'Trans proline' 0 C--N 1.343 0.273 0 C-N-CA 122.619 2.213 . . . . 0.0 112.36 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 7.9 mmtt 59.92 37.68 21.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.01 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -119.13 -41.26 2.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.887 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.621 ' HB2' HG22 ' A' ' 2' ' ' VAL . . . -88.4 101.09 13.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.089 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -110.52 -31.18 7.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.048 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -148.17 30.9 0.85 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.112 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 59.6 30.75 20.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.071 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -88.76 117.24 27.6 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.875 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.446 HG13 ' N ' ' A' ' 17' ' ' ALA . 11.2 p -70.2 -42.8 79.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.12 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.446 ' N ' HG13 ' A' ' 16' ' ' VAL . . . -58.43 -48.21 81.45 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.986 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.559 ' O ' HG22 ' A' ' 21' ' ' THR . . . -57.99 -20.01 35.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.221 179.713 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 5.7 t60 -88.2 -65.16 1.05 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.847 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 12.8 tt -60.92 -20.4 21.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.901 -179.585 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.559 HG22 ' O ' ' A' ' 18' ' ' ALA . 6.4 t -49.01 -47.63 44.31 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.85 0.357 . . . . 0.0 111.123 -179.786 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.423 ' N ' HG23 ' A' ' 21' ' ' THR . 21.7 p-80 -109.44 -29.0 8.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.915 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 54.3 m -79.53 123.69 27.8 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.954 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 20.3 m-85 -138.11 -178.31 5.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.961 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.8 ptpp? . . . . . 0 C--O 1.249 1.073 0 CA-C-O 118.269 -0.872 . . . . 1.0 110.945 179.98 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 11.2 m-85 . . . . . 0 N--CA 1.487 1.376 0 CA-C-O 120.84 0.352 . . . . 0.0 111.17 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.861 ' CG2' ' HB2' ' A' ' 11' ' ' ALA . 11.3 p -58.02 -40.55 77.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.121 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.405 ' N ' HG13 ' A' ' 2' ' ' VAL . 6.0 m -60.35 -29.82 69.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.848 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.3 p -108.95 26.48 10.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.095 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 54.0 t -65.07 152.87 42.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.73 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.57 ' CE2' HD23 ' A' ' 7' ' ' LEU . 40.2 p90 -101.62 -49.34 4.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.127 -179.794 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.673 HD21 ' SG ' ' A' ' 23' ' ' CYS . 4.6 pp -80.46 146.71 62.07 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.007 -179.86 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.487 ' O ' HD12 ' A' ' 7' ' ' LEU . 60.7 Cg_endo -72.93 -168.19 0.4 Allowed 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.553 2.168 . . . . 0.0 112.298 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 14.5 mtpp 59.62 31.36 20.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.877 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -126.5 160.67 29.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.82 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.861 ' HB2' ' CG2' ' A' ' 2' ' ' VAL . . . 61.34 90.5 0.07 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.057 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -108.98 -31.13 7.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.098 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -140.7 30.75 1.87 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.114 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 59.34 77.86 0.29 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.189 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 37.1 t30 -147.57 125.41 11.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.827 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.418 HG13 ' N ' ' A' ' 17' ' ' ALA . 12.3 p -69.66 -41.29 80.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.138 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.418 ' N ' HG13 ' A' ' 16' ' ' VAL . . . -58.52 -47.23 84.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.044 179.868 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.543 ' O ' HG22 ' A' ' 21' ' ' THR . . . -57.91 -20.03 34.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.211 179.742 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.416 ' CG ' ' HA ' ' A' ' 2' ' ' VAL . 6.2 t60 -87.78 -65.87 0.97 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.879 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 3.4 tt -60.33 -21.49 22.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.906 -179.521 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.543 HG22 ' O ' ' A' ' 18' ' ' ALA . 6.9 t -48.4 -47.88 37.32 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.794 0.33 . . . . 0.0 111.147 -179.853 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.432 ' N ' HG23 ' A' ' 21' ' ' THR . 34.1 p-80 -109.03 -28.45 9.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.913 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.673 ' SG ' HD21 ' A' ' 7' ' ' LEU . 56.7 m -80.73 137.16 36.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.935 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -147.15 -53.64 0.22 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.928 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 6.7 ptpt . . . . . 0 C--O 1.249 1.045 0 CA-C-O 118.214 -0.898 . . . . 1.0 110.902 179.95 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 55.4 m-85 . . . . . 0 N--CA 1.486 1.357 0 CA-C-O 120.895 0.378 . . . . 0.0 111.172 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.793 ' CG2' ' HB2' ' A' ' 11' ' ' ALA . 11.4 p -58.54 -36.39 59.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.078 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.5 m -60.43 -29.56 69.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.89 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.3 m -108.06 24.73 12.53 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.144 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 51.8 t -65.12 156.19 32.43 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.717 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.518 ' CZ ' HD23 ' A' ' 7' ' ' LEU . 53.8 p90 -108.07 -47.75 3.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.108 -179.804 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.658 HD21 ' SG ' ' A' ' 23' ' ' CYS . 4.7 pp -81.34 147.25 59.8 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.028 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.569 ' O ' HD12 ' A' ' 7' ' ' LEU . 59.0 Cg_endo -71.89 -168.06 0.34 Allowed 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 122.563 2.175 . . . . 0.0 112.371 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 59.54 31.26 20.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.863 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -127.97 166.23 18.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.847 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.793 ' HB2' ' CG2' ' A' ' 2' ' ' VAL . . . 61.11 89.95 0.07 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.084 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -110.35 -31.0 7.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.102 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -145.63 35.06 1.04 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.071 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 59.7 31.1 20.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.053 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -97.03 109.98 22.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.891 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 10.9 p -60.72 -39.26 81.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.073 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.405 ' O ' ' HB ' ' A' ' 21' ' ' THR . . . -58.83 -45.47 89.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.006 179.877 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.553 ' O ' HG22 ' A' ' 21' ' ' THR . . . -58.16 -19.59 34.13 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.307 179.672 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.427 ' CG ' ' HA ' ' A' ' 2' ' ' VAL . 6.7 t60 -87.59 -66.59 0.9 Allowed 'General case' 0 CA--C 1.53 0.194 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.856 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 6.6 tt -59.49 -21.49 20.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.929 -179.526 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.553 HG22 ' O ' ' A' ' 18' ' ' ALA . 7.9 t -49.05 -47.25 44.97 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-O 120.755 0.312 . . . . 0.0 111.117 -179.777 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.424 ' N ' HG23 ' A' ' 21' ' ' THR . 36.5 p-80 -109.78 -29.0 8.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.852 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.658 ' SG ' HD21 ' A' ' 7' ' ' LEU . 47.7 m -79.78 136.48 36.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.871 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 4.4 m-85 -160.74 -47.45 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.916 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.304 -0.855 . . . . 1.0 110.917 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 77.3 m-85 . . . . . 0 N--CA 1.487 1.388 0 CA-C-O 120.814 0.34 . . . . 0.0 111.163 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.696 HG22 ' HB2' ' A' ' 11' ' ' ALA . 11.2 p -59.71 -42.14 87.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.058 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.438 ' N ' HG13 ' A' ' 2' ' ' VAL . 0.3 OUTLIER -59.88 -31.51 69.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.879 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 26.8 m -73.47 -22.23 60.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.084 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 7.2 t -57.99 128.92 39.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.98 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.408 ' CD1' ' N ' ' A' ' 7' ' ' LEU . 28.0 p90 -88.91 -44.65 10.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.925 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.609 HD12 ' O ' ' A' ' 8' ' ' PRO . 4.3 pp -75.73 143.62 75.35 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.916 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.609 ' O ' HD12 ' A' ' 7' ' ' LEU . 73.0 Cg_endo -74.93 -168.29 0.5 Allowed 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.568 2.179 . . . . 0.0 112.366 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 6.4 mtpp 60.14 38.32 20.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.944 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -137.38 -48.43 0.59 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.917 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.696 ' HB2' HG22 ' A' ' 2' ' ' VAL . . . -90.61 94.58 9.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.037 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -107.41 -31.97 7.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.119 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -142.02 29.72 1.66 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.189 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 58.41 30.58 19.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.194 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.7 t30 -89.67 110.32 21.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.864 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.401 HG13 ' N ' ' A' ' 17' ' ' ALA . 10.9 p -63.68 -40.02 87.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.118 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.401 ' N ' HG13 ' A' ' 16' ' ' VAL . . . -59.0 -50.45 74.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.055 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.601 ' O ' HG22 ' A' ' 21' ' ' THR . . . -57.75 -20.27 33.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.252 179.774 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 5.1 t60 -88.36 -64.2 1.18 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.765 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.754 HD12 ' O ' ' A' ' 23' ' ' CYS . 8.9 tp -60.24 -19.0 17.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.892 -179.659 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.601 HG22 ' O ' ' A' ' 18' ' ' ALA . 8.9 t -48.7 -47.01 41.34 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.801 0.334 . . . . 0.0 111.203 -179.824 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.438 ' N ' HG23 ' A' ' 21' ' ' THR . 23.8 p-80 -112.45 -29.84 7.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.993 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.754 ' O ' HD12 ' A' ' 20' ' ' ILE . 22.4 m -75.92 128.07 34.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.984 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 6.9 m-85 -143.11 172.82 12.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.859 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.283 -0.865 . . . . 1.0 110.845 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 . . . . . 0 N--CA 1.486 1.355 0 CA-C-O 120.846 0.355 . . . . 0.0 111.242 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.845 HG22 ' HB2' ' A' ' 11' ' ' ALA . 11.4 p -58.48 -30.98 42.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.165 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.6 t -65.59 -30.44 71.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.931 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 2.9 m -109.33 27.18 9.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.101 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 49.1 t -65.06 156.29 31.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.859 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.524 ' CE1' HD23 ' A' ' 7' ' ' LEU . 51.5 p90 -97.08 -46.87 6.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.008 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.524 HD23 ' CE1' ' A' ' 6' ' ' TYR . 4.2 pp -85.44 144.12 39.93 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.896 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.478 ' O ' HD12 ' A' ' 7' ' ' LEU . 73.2 Cg_endo -76.09 176.89 9.46 Favored 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 122.509 2.139 . . . . 0.0 112.321 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 6.2 mmtp 60.26 44.95 11.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.918 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -122.77 -43.44 2.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.831 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.845 ' HB2' HG22 ' A' ' 2' ' ' VAL . . . -97.11 103.98 15.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.128 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -110.77 -31.83 7.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.192 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -142.95 29.98 1.47 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.155 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 58.79 77.29 0.31 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.15 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 5.0 t30 -137.91 119.65 15.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.803 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.441 HG13 ' N ' ' A' ' 17' ' ' ALA . 11.9 p -73.14 -42.5 58.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.114 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.441 ' N ' HG13 ' A' ' 16' ' ' VAL . . . -58.59 -51.0 71.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.026 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.574 ' O ' HG22 ' A' ' 21' ' ' THR . . . -57.5 -20.19 29.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.198 179.764 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.405 ' CG ' ' HA ' ' A' ' 2' ' ' VAL . 5.2 t60 -87.65 -64.84 1.09 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.813 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.439 HD12 ' O ' ' A' ' 23' ' ' CYS . 9.2 tp -60.24 -23.21 26.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.773 -179.599 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.574 HG22 ' O ' ' A' ' 18' ' ' ALA . 8.8 t -47.36 -45.27 24.69 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.757 0.313 . . . . 0.0 111.336 -179.718 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 20.6 p-80 -111.93 -31.79 6.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.973 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.496 ' SG ' HD21 ' A' ' 7' ' ' LEU . 26.2 m -75.54 133.9 40.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.859 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 9.6 m-85 -143.89 -47.64 0.28 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.948 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.076 0 CA-C-O 118.18 -0.914 . . . . 1.0 110.9 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 35.5 m-85 . . . . . 0 N--CA 1.485 1.318 0 CA-C-O 120.843 0.354 . . . . 0.0 111.178 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.803 HG22 ' HB2' ' A' ' 11' ' ' ALA . 11.6 p -58.97 -42.01 84.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.097 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.431 ' N ' HG13 ' A' ' 2' ' ' VAL . 1.8 m -60.71 -29.12 69.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.954 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 2.7 m -107.91 24.2 13.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.118 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 51.2 t -65.07 156.17 32.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.73 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.466 ' CZ ' HD23 ' A' ' 7' ' ' LEU . 46.4 p90 -105.76 -48.29 3.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.073 -179.76 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.687 HD21 ' SG ' ' A' ' 23' ' ' CYS . 4.6 pp -79.81 148.93 69.89 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.118 -179.883 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.592 ' O ' HD12 ' A' ' 7' ' ' LEU . 57.6 Cg_endo -71.33 -167.84 0.31 Allowed 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.584 2.189 . . . . 0.0 112.322 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 59.41 31.32 20.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.878 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -132.58 164.1 27.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.815 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.803 ' HB2' HG22 ' A' ' 2' ' ' VAL . . . 61.05 82.33 0.17 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.108 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -110.83 -31.02 7.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.125 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -141.53 32.93 1.65 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.064 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 59.43 30.96 20.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.107 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 6.5 m120 -96.32 119.94 35.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.874 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 10.9 p -71.36 -40.08 72.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.084 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.41 ' O ' ' HB ' ' A' ' 21' ' ' THR . . . -58.63 -46.5 86.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.936 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.548 ' O ' HG22 ' A' ' 21' ' ' THR . . . -57.54 -20.14 29.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.321 179.73 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.432 ' CG ' ' HA ' ' A' ' 2' ' ' VAL . 6.5 t60 -87.28 -66.4 0.91 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.86 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 3.7 tt -60.01 -22.09 23.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.909 -179.474 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.548 HG22 ' O ' ' A' ' 18' ' ' ALA . 7.8 t -48.28 -47.49 36.3 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.854 0.359 . . . . 0.0 111.186 -179.823 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.427 ' N ' HG23 ' A' ' 21' ' ' THR . 36.6 p-80 -109.22 -28.24 9.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.86 179.883 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.687 ' SG ' HD21 ' A' ' 7' ' ' LEU . 56.5 m -81.44 138.16 35.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.894 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -146.69 -57.79 0.28 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.911 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.258 -0.877 . . . . 1.0 110.95 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 . . . . . 0 N--CA 1.486 1.356 0 CA-C-O 120.843 0.354 . . . . 0.0 111.26 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.681 HG22 ' HB2' ' A' ' 11' ' ' ALA . 12.2 p -58.85 -42.84 86.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.11 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.451 ' N ' HG13 ' A' ' 2' ' ' VAL . 1.4 t -59.49 -28.82 67.37 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.995 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.449 HG22 ' O ' ' A' ' 4' ' ' THR . 7.7 m -110.12 26.22 10.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.152 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 53.3 t -64.99 156.15 32.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.704 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.517 ' CE2' HD23 ' A' ' 7' ' ' LEU . 39.4 p90 -103.96 -47.8 4.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.118 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.687 HD21 ' SG ' ' A' ' 23' ' ' CYS . 4.6 pp -81.56 149.14 63.98 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.949 -179.841 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.597 ' O ' HD12 ' A' ' 7' ' ' LEU . 58.2 Cg_endo -71.37 -167.89 0.31 Allowed 'Trans proline' 0 C--N 1.345 0.342 0 C-N-CA 122.647 2.231 . . . . 0.0 112.38 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 59.48 30.72 20.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.835 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -131.59 171.26 13.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.878 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.681 ' HB2' HG22 ' A' ' 2' ' ' VAL . . . 60.34 41.23 16.59 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.135 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -65.58 -30.89 71.68 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.095 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -146.8 30.95 0.96 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.156 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 59.26 31.23 21.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.074 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -94.32 120.81 35.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.923 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.48 HG13 ' N ' ' A' ' 17' ' ' ALA . 11.2 p -67.11 -45.07 87.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.057 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.48 ' N ' HG13 ' A' ' 16' ' ' VAL . . . -58.33 -47.64 83.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.906 179.807 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.551 ' O ' HG22 ' A' ' 21' ' ' THR . . . -58.34 -20.01 39.86 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.213 179.705 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.425 ' CG ' ' HA ' ' A' ' 2' ' ' VAL . 5.2 t60 -87.56 -65.29 1.03 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.895 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 2.8 tt -60.68 -22.07 25.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.959 -179.58 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.551 HG22 ' O ' ' A' ' 18' ' ' ALA . 7.4 t -48.4 -47.31 37.76 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-O 120.769 0.319 . . . . 0.0 111.091 -179.759 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.428 ' N ' HG23 ' A' ' 21' ' ' THR . 39.0 p-80 -108.82 -28.21 9.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.854 179.873 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.687 ' SG ' HD21 ' A' ' 7' ' ' LEU . 59.7 m -81.86 134.61 35.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.918 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 10.2 m-85 -140.84 -54.55 0.49 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.905 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.25 1.099 0 CA-C-O 118.262 -0.875 . . . . 1.0 110.9 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 25.4 m-85 . . . . . 0 N--CA 1.485 1.325 0 CA-C-O 120.74 0.305 . . . . 0.0 111.247 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.559 HG22 ' HB2' ' A' ' 11' ' ' ALA . 12.4 p -58.54 -32.58 46.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.027 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.6 m -64.53 -29.66 70.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.989 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 3.0 m -107.49 24.0 13.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.162 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 51.9 t -65.04 156.5 31.23 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.704 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.774 ' CZ ' HD23 ' A' ' 7' ' ' LEU . 52.6 p90 -96.35 -37.92 10.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.055 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.774 HD23 ' CZ ' ' A' ' 6' ' ' TYR . 2.1 pp -97.1 143.13 25.6 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.921 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.685 ' O ' HD12 ' A' ' 7' ' ' LEU . 68.5 Cg_endo -74.28 -176.26 2.61 Favored 'Trans proline' 0 C--N 1.346 0.407 0 C-N-CA 122.598 2.198 . . . . 0.0 112.345 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 21.4 mttt 59.36 31.08 20.84 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.982 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -115.1 -38.25 3.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.938 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.559 ' HB2' HG22 ' A' ' 2' ' ' VAL . . . -93.75 99.0 11.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.088 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -110.42 -31.25 7.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.063 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -146.95 31.0 0.95 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.143 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 59.43 30.86 20.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.157 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 37.5 m-20 -87.94 115.42 25.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.844 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.453 HG13 ' N ' ' A' ' 17' ' ' ALA . 11.2 p -69.91 -43.29 79.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.079 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.453 ' N ' HG13 ' A' ' 16' ' ' VAL . . . -58.31 -47.16 84.59 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.957 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.556 ' O ' HG22 ' A' ' 21' ' ' THR . . . -58.33 -19.72 37.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.281 179.62 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.423 ' CG ' ' HA ' ' A' ' 2' ' ' VAL . 6.3 t60 -88.34 -65.71 0.99 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.785 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 3.7 tt -60.21 -20.36 20.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.949 -179.528 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.556 HG22 ' O ' ' A' ' 18' ' ' ALA . 6.5 t -49.26 -47.71 46.39 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-O 120.821 0.343 . . . . 0.0 111.12 -179.839 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.424 ' N ' HG23 ' A' ' 21' ' ' THR . 20.9 p-80 -109.57 -29.38 8.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.874 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.507 ' SG ' HD21 ' A' ' 7' ' ' LEU . 46.4 m -78.81 107.7 11.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.855 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 -84.67 -67.86 0.76 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.919 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.03 0 CA-C-O 118.276 -0.869 . . . . 1.0 110.958 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.487 1.401 0 CA-C-O 120.753 0.311 . . . . 0.0 111.215 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.754 HG22 ' HB2' ' A' ' 11' ' ' ALA . 11.4 p -58.44 -31.18 42.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.099 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 37.7 m -72.79 -29.39 63.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.905 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.5 m -108.57 24.64 12.76 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.113 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 53.1 t -65.04 145.32 56.48 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.746 179.838 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.658 ' CE2' HD23 ' A' ' 7' ' ' LEU . 47.3 p90 -93.94 -48.91 6.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.198 -179.881 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.722 HD21 ' SG ' ' A' ' 23' ' ' CYS . 4.1 pp -78.14 145.74 69.73 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.939 -179.874 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.446 ' O ' HD12 ' A' ' 7' ' ' LEU . 63.3 Cg_endo -73.41 -168.07 0.41 Allowed 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 122.634 2.223 . . . . 0.0 112.321 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 59.61 32.27 21.44 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.81 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -129.03 171.57 12.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.858 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.754 ' HB2' HG22 ' A' ' 2' ' ' VAL . . . 60.98 43.95 10.95 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.098 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.62 -31.02 69.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.08 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -144.22 30.35 1.27 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.187 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 59.03 30.92 20.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.168 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -97.63 127.44 43.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.848 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.47 HG13 ' N ' ' A' ' 17' ' ' ALA . 12.4 p -66.63 -44.32 89.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.13 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.47 ' N ' HG13 ' A' ' 16' ' ' VAL . . . -58.03 -46.6 85.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.003 179.884 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.543 ' O ' HG22 ' A' ' 21' ' ' THR . . . -58.55 -19.64 39.62 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.304 179.636 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.403 ' CG ' ' HA ' ' A' ' 2' ' ' VAL . 6.1 t60 -88.06 -65.71 0.99 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.798 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 7.8 tt -60.25 -21.34 22.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.891 -179.539 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.543 HG22 ' O ' ' A' ' 18' ' ' ALA . 6.6 t -48.49 -47.9 38.32 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-O 120.871 0.367 . . . . 0.0 111.218 -179.814 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.429 ' N ' HG23 ' A' ' 21' ' ' THR . 26.9 p-80 -109.07 -28.83 8.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.83 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.722 ' SG ' HD21 ' A' ' 7' ' ' LEU . 55.8 m -80.15 118.6 21.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.968 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -130.19 -176.74 4.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.865 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.6 ptpp? . . . . . 0 C--O 1.248 0.993 0 CA-C-O 118.205 -0.902 . . . . 1.0 110.893 -179.979 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 6.8 m-85 . . . . . 0 N--CA 1.487 1.397 0 CA-C-O 120.79 0.329 . . . . 0.0 111.209 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 11.6 p -59.71 -31.1 46.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.053 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.3 m -65.18 -30.96 71.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.94 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -108.35 26.96 9.83 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.03 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 50.0 t -65.03 156.33 31.77 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.875 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.493 ' CZ ' HD23 ' A' ' 7' ' ' LEU . 50.8 p90 -97.05 -46.15 6.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.028 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.584 HD21 ' SG ' ' A' ' 23' ' ' CYS . 4.2 pp -86.57 145.28 39.09 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.007 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.556 ' O ' HD12 ' A' ' 7' ' ' LEU . 72.8 Cg_endo -76.17 -176.46 3.07 Favored 'Trans proline' 0 C--N 1.344 0.3 0 C-N-CA 122.586 2.19 . . . . 0.0 112.375 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 32.9 mttt 59.09 30.6 20.44 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.017 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -115.23 -35.71 4.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.991 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -84.16 57.37 4.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.146 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -111.91 -32.69 6.52 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.141 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.404 ' O ' ' HB3' ' A' ' 14' ' ' ALA . . . -93.91 -20.37 20.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.274 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.404 ' HB3' ' O ' ' A' ' 13' ' ' ALA . . . 66.84 31.24 7.42 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.82 0.343 . . . . 0.0 111.038 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -127.44 133.86 49.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.8 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.408 HG13 ' N ' ' A' ' 17' ' ' ALA . 11.1 p -59.24 -41.1 82.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.137 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.408 ' N ' HG13 ' A' ' 16' ' ' VAL . . . -59.31 -47.66 84.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.947 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.551 ' O ' HG22 ' A' ' 21' ' ' THR . . . -58.35 -19.68 37.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.269 179.761 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 5.3 t60 -87.96 -65.06 1.06 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.837 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.417 ' CG1' ' CE1' ' A' ' 24' ' ' TYR . 6.0 tt -61.39 -20.57 23.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.866 -179.47 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.551 HG22 ' O ' ' A' ' 18' ' ' ALA . 6.5 t -48.52 -47.95 38.69 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.809 0.337 . . . . 0.0 111.188 -179.815 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.431 ' N ' HG23 ' A' ' 21' ' ' THR . 23.8 p-80 -108.87 -28.59 9.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.806 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.584 ' SG ' HD21 ' A' ' 7' ' ' LEU . 58.3 m -80.25 105.79 11.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.958 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.417 ' CE1' ' CG1' ' A' ' 20' ' ' ILE . 5.1 m-85 -140.68 -176.89 4.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.898 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 7.7 ptpp? . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.242 -0.885 . . . . 1.0 110.939 -179.995 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 1.6 t80 . . . . . 0 N--CA 1.486 1.352 0 CA-C-O 120.871 0.367 . . . . 0.0 111.148 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.611 HG22 ' HB2' ' A' ' 11' ' ' ALA . 11.4 p -58.95 -30.24 42.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.121 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.99 -29.06 60.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.017 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.5 m -103.15 16.82 25.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.312 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 47.2 t -65.2 130.13 42.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.88 0.371 . . . . 0.0 110.766 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 52.1 p90 -86.88 -42.58 13.11 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.133 -179.852 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.769 HD21 ' SG ' ' A' ' 23' ' ' CYS . 0.7 OUTLIER -76.34 145.48 76.22 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.941 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 62.6 Cg_endo -73.24 -168.28 0.42 Allowed 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 122.555 2.17 . . . . 0.0 112.396 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.2 tttp 59.52 38.05 22.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.913 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -139.97 166.5 24.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.91 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.611 ' HB2' HG22 ' A' ' 2' ' ' VAL . . . 60.5 84.36 0.13 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.069 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -110.19 -31.15 7.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.129 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -138.13 30.49 2.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.127 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 59.19 30.89 20.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.124 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -98.78 129.52 45.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.853 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 11.1 p -75.35 -39.4 41.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.088 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.86 -45.15 90.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.993 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.543 ' O ' HG22 ' A' ' 21' ' ' THR . . . -58.36 -19.55 36.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.264 179.7 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.421 ' CG ' ' HA ' ' A' ' 2' ' ' VAL . 6.8 t60 -87.77 -66.41 0.92 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.868 -179.888 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 2.8 tt -59.79 -21.59 21.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.951 -179.545 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.543 HG22 ' O ' ' A' ' 18' ' ' ALA . 7.0 t -48.29 -47.89 36.12 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.828 0.347 . . . . 0.0 111.195 -179.851 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.429 ' N ' HG23 ' A' ' 21' ' ' THR . 25.6 p-80 -109.15 -29.04 8.72 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.891 179.844 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.769 ' SG ' HD21 ' A' ' 7' ' ' LEU . 56.1 m -80.17 120.78 24.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.925 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -133.74 147.84 51.36 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.887 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 28.5 mmtt . . . . . 0 C--O 1.249 1.033 0 CA-C-O 118.137 -0.935 . . . . 1.0 110.933 179.918 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 94.1 m-85 . . . . . 0 N--CA 1.487 1.378 0 CA-C-O 120.802 0.334 . . . . 0.0 111.153 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.635 HG22 ' HB2' ' A' ' 11' ' ' ALA . 11.3 p -71.66 -40.79 71.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.025 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.406 ' N ' HG13 ' A' ' 2' ' ' VAL . 39.4 m -59.53 -32.05 69.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.78 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -75.37 -19.53 59.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.191 179.837 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 11.7 t -54.46 159.42 2.07 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.872 0.368 . . . . 0.0 111.048 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 8.4 p90 -126.05 -40.69 1.99 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.249 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.49 ' H ' HD23 ' A' ' 7' ' ' LEU . 0.7 OUTLIER -74.94 145.66 81.51 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.981 -179.734 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 45.3 Cg_exo -56.2 -165.3 0.02 OUTLIER 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 122.598 2.199 . . . . 0.0 112.272 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 57.16 30.88 19.06 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.949 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.3 m -151.52 158.61 43.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.899 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.635 ' HB2' HG22 ' A' ' 2' ' ' VAL . . . 61.85 72.26 0.51 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.122 -179.901 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -110.67 -31.04 7.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.083 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -149.85 31.03 0.71 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.122 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 60.18 78.97 0.25 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.09 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -145.76 120.05 9.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.883 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.42 HG13 ' N ' ' A' ' 17' ' ' ALA . 12.0 p -72.52 -41.05 63.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.064 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.42 ' N ' HG13 ' A' ' 16' ' ' VAL . . . -59.12 -50.04 75.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.042 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.585 ' O ' HG22 ' A' ' 21' ' ' THR . . . -58.46 -19.72 39.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.269 179.82 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 4.2 t60 -88.34 -63.79 1.24 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.817 0.341 . . . . 0.0 110.831 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 14.8 tt -61.81 -17.9 18.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.834 -179.582 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.585 HG22 ' O ' ' A' ' 18' ' ' ALA . 9.7 t -49.96 -47.32 52.67 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.829 0.347 . . . . 0.0 111.118 -179.858 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.443 ' N ' HG23 ' A' ' 21' ' ' THR . 18.6 p-80 -110.26 -30.31 7.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.806 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.48 ' SG ' HD21 ' A' ' 7' ' ' LEU . 47.4 m -76.91 124.72 28.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.873 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 7.3 m-85 -149.9 -176.46 5.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.915 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.248 1.023 0 CA-C-O 118.26 -0.876 . . . . 1.0 110.896 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 36.2 m-85 . . . . . 0 N--CA 1.487 1.388 0 CA-C-O 120.751 0.31 . . . . 0.0 111.192 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.482 HG23 ' HB2' ' A' ' 19' ' ' HIS . 11.1 p -70.67 -43.41 77.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.049 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.464 ' N ' HG13 ' A' ' 2' ' ' VAL . 69.5 m -59.37 -43.04 92.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.893 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 44.4 p -63.01 -19.89 64.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.147 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 18.1 t -55.37 152.17 8.95 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.103 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.422 ' CD1' ' N ' ' A' ' 7' ' ' LEU . 8.4 p90 -119.6 -36.67 3.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.109 -179.793 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.719 HD12 ' O ' ' A' ' 8' ' ' PRO . 4.6 pp -74.83 142.79 77.18 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.036 -179.823 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.719 ' O ' HD12 ' A' ' 7' ' ' LEU . 46.5 Cg_exo -56.0 -166.41 0.02 OUTLIER 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 122.529 2.152 . . . . 0.0 112.27 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 9.7 mptt 57.06 31.24 19.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.944 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.4 m -150.75 164.77 35.38 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.91 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . 60.91 38.85 17.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.042 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -78.39 -31.0 48.12 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.07 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -146.92 30.73 0.96 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.107 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 59.41 30.97 20.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.124 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 28.4 t-20 -93.64 118.16 31.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.853 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.46 HG13 ' N ' ' A' ' 17' ' ' ALA . 12.4 p -70.52 -43.61 77.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.079 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.46 ' N ' HG13 ' A' ' 16' ' ' VAL . . . -58.73 -47.0 86.12 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.94 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.615 ' O ' HG22 ' A' ' 21' ' ' THR . . . -59.9 -18.8 47.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.266 179.828 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.482 ' HB2' HG23 ' A' ' 2' ' ' VAL . 4.0 t60 -86.92 -64.08 1.21 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.858 0.361 . . . . 0.0 110.872 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 2.6 tt -62.39 -17.08 17.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.843 -179.503 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.615 HG22 ' O ' ' A' ' 18' ' ' ALA . 9.0 t -51.71 -43.9 63.0 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.816 0.341 . . . . 0.0 111.14 -179.853 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 13.9 p-80 -112.95 -32.46 6.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.954 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.444 ' SG ' HD21 ' A' ' 7' ' ' LEU . 27.6 m -73.75 133.46 43.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.975 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -159.92 -175.51 5.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.807 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 8.0 ptpp? . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.25 -0.881 . . . . 1.0 110.88 -179.99 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 16.0 m-85 . . . . . 0 N--CA 1.487 1.414 0 CA-C-O 120.854 0.359 . . . . 0.0 111.202 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.49 HG13 ' N ' ' A' ' 3' ' ' SER . 11.2 p -59.42 -44.77 93.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.06 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.49 ' N ' HG13 ' A' ' 2' ' ' VAL . 8.9 t -62.37 -30.0 70.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.925 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.437 HG22 ' O ' ' A' ' 4' ' ' THR . 7.9 m -112.02 29.93 7.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.01 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 50.5 t -65.06 149.7 49.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.784 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.763 ' CE1' HD23 ' A' ' 7' ' ' LEU . 51.8 p90 -78.33 -48.35 15.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.2 -179.723 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.763 HD23 ' CE1' ' A' ' 6' ' ' TYR . 4.6 pp -87.95 148.09 42.47 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.976 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.53 ' O ' HD12 ' A' ' 7' ' ' LEU . 63.9 Cg_endo -73.54 -175.09 1.88 Allowed 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 122.603 2.202 . . . . 0.0 112.387 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 28.7 mttp 57.72 33.86 23.75 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.89 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -131.57 64.4 1.59 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.88 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -176.71 93.97 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.095 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -110.16 -31.21 7.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.132 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -156.21 30.57 0.34 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.155 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 59.29 32.83 22.23 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.136 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 7.2 m120 -84.94 119.63 25.59 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.909 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.49 HG13 ' N ' ' A' ' 17' ' ' ALA . 12.1 p -72.4 -44.92 61.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.038 -179.905 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.49 ' N ' HG13 ' A' ' 16' ' ' VAL . . . -58.13 -47.55 82.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.979 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.556 ' O ' HG22 ' A' ' 21' ' ' THR . . . -59.3 -19.18 44.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.247 179.732 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 3.7 t60 -87.56 -64.41 1.15 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.932 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 11.7 tt -61.54 -22.46 28.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.822 -179.453 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.556 HG22 ' O ' ' A' ' 18' ' ' ALA . 8.2 t -48.19 -47.4 35.35 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.922 0.392 . . . . 0.0 111.173 -179.841 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.436 ' N ' HG23 ' A' ' 21' ' ' THR . 31.1 p-80 -107.8 -28.42 9.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.847 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 67.0 m -81.81 109.06 15.85 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.938 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 8.8 m-85 -138.02 128.91 27.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.841 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.03 0 CA-C-O 118.247 -0.882 . . . . 1.0 110.894 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 . . . . . 0 N--CA 1.487 1.377 0 CA-C-O 120.862 0.363 . . . . 0.0 111.196 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.747 HG22 ' HB2' ' A' ' 11' ' ' ALA . 11.2 p -59.88 -30.83 46.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.126 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.6 t -61.83 -29.02 69.89 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.109 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -100.21 11.93 38.23 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.425 -179.897 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 43.6 t -65.15 153.7 40.14 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.817 0.341 . . . . 0.0 110.729 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.665 ' CE1' HD23 ' A' ' 7' ' ' LEU . 18.1 p90 -114.74 -44.56 3.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.024 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.665 HD23 ' CE1' ' A' ' 6' ' ' TYR . 1.8 pp -74.89 147.38 83.89 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.933 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.408 ' O ' HD12 ' A' ' 7' ' ' LEU . 56.3 Cg_endo -70.38 -168.11 0.28 Allowed 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.582 2.188 . . . . 0.0 112.406 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 59.52 31.46 21.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.851 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -135.24 162.32 32.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.878 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.747 ' HB2' HG22 ' A' ' 2' ' ' VAL . . . 61.0 80.54 0.21 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.121 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -109.76 -31.29 7.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.069 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -139.35 31.15 2.13 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.111 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 59.58 30.81 20.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.143 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 6.1 t30 -97.35 121.99 39.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.904 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 11.2 p -71.2 -40.01 73.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.062 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.4 ' O ' ' HB ' ' A' ' 21' ' ' THR . . . -58.41 -45.37 88.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.94 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.549 ' O ' HG22 ' A' ' 21' ' ' THR . . . -58.67 -19.19 37.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.234 179.795 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.428 ' CG ' ' HA ' ' A' ' 2' ' ' VAL . 6.9 t60 -88.3 -66.5 0.91 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.818 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 3.2 tt -59.51 -20.69 19.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.869 -179.47 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.549 HG22 ' O ' ' A' ' 18' ' ' ALA . 6.6 t -49.31 -47.87 46.69 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.835 0.35 . . . . 0.0 111.192 -179.81 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.424 ' N ' HG23 ' A' ' 21' ' ' THR . 20.8 p-80 -109.3 -29.84 8.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.895 179.882 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.593 ' SG ' HD21 ' A' ' 7' ' ' LEU . 41.4 m -78.52 134.62 37.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.908 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -147.64 -62.86 0.27 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.9 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 11.1 pttm . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.251 -0.881 . . . . 1.0 110.932 179.995 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 45.7 m-85 . . . . . 0 N--CA 1.487 1.375 0 CA-C-O 120.837 0.351 . . . . 0.0 111.211 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.806 ' CG2' ' HB2' ' A' ' 11' ' ' ALA . 11.7 p -58.17 -34.48 49.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.126 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -64.61 -29.6 70.61 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.936 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 3.6 m -107.04 23.62 14.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.118 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 49.8 t -65.04 156.39 31.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.825 0.345 . . . . 0.0 110.706 179.833 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.727 ' CE2' HD23 ' A' ' 7' ' ' LEU . 18.3 p90 -110.48 -48.97 3.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.098 -179.869 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.727 HD23 ' CE2' ' A' ' 6' ' ' TYR . 3.4 pp -78.41 125.77 84.18 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.921 -179.861 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 48.3 Cg_exo -55.75 -166.81 0.02 OUTLIER 'Trans proline' 0 C--N 1.346 0.446 0 C-N-CA 122.441 2.094 . . . . 0.0 112.29 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 58.68 31.36 21.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.929 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -126.97 168.17 14.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.88 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.806 ' HB2' ' CG2' ' A' ' 2' ' ' VAL . . . 60.88 92.43 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.091 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -110.19 -31.21 7.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.092 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -139.13 30.74 2.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.12 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 59.58 30.96 20.62 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.155 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -99.65 126.85 45.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.852 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 12.2 p -69.49 -39.32 78.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.02 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.68 -45.39 89.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.991 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.543 ' O ' HG22 ' A' ' 21' ' ' THR . . . -58.26 -19.57 35.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.306 179.706 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.416 ' CG ' ' HA ' ' A' ' 2' ' ' VAL . 6.7 t60 -87.79 -66.44 0.91 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.852 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 6.5 tt -59.75 -21.51 21.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.918 -179.533 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.543 HG22 ' O ' ' A' ' 18' ' ' ALA . 7.1 t -48.39 -47.97 37.22 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.892 0.377 . . . . 0.0 111.146 -179.826 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.432 ' N ' HG23 ' A' ' 21' ' ' THR . 25.3 p-80 -109.02 -28.94 8.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.903 179.867 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.677 ' SG ' HD21 ' A' ' 7' ' ' LEU . 55.9 m -80.21 136.78 36.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.9 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 10.2 m-85 -154.9 -50.9 0.09 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.883 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.265 -0.874 . . . . 1.0 110.927 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' PHE . . . . . 0.654 ' HA ' HG23 ' A' ' 16' ' ' VAL . 39.8 m-85 . . . . . 0 N--CA 1.486 1.344 0 CA-C-O 120.812 0.339 . . . . 0.0 111.193 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.579 HG22 ' HB2' ' A' ' 11' ' ' ALA . 11.1 p -58.99 -30.72 44.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.067 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.5 m -60.43 -29.02 68.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.972 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.401 HG22 ' O ' ' A' ' 4' ' ' THR . 6.1 m -98.94 11.7 38.13 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.381 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 33.0 t -65.07 143.37 57.96 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.753 0.311 . . . . 0.0 110.735 179.841 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 43.9 p90 -120.03 28.76 7.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.249 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.641 HD11 ' SG ' ' A' ' 23' ' ' CYS . 0.7 OUTLIER -151.32 154.92 34.28 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.901 179.929 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -69.98 -173.1 0.68 Allowed 'Trans proline' 0 C--N 1.343 0.28 0 C-N-CA 122.553 2.169 . . . . 0.0 112.281 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 60.84 36.86 18.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.898 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -147.82 165.23 31.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.836 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.579 ' HB2' HG22 ' A' ' 2' ' ' VAL . . . 60.95 75.19 0.42 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.157 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -110.73 -31.11 7.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.09 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -145.1 31.2 1.13 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.108 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 59.73 30.98 20.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.146 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 6.3 t-20 -96.51 112.89 24.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.915 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.654 HG23 ' HA ' ' A' ' 1' ' ' PHE . 11.3 p -64.89 -39.95 87.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.075 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.405 ' O ' ' HB ' ' A' ' 21' ' ' THR . . . -58.57 -46.35 87.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.022 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.548 ' O ' HG22 ' A' ' 21' ' ' THR . . . -57.84 -19.86 31.92 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.246 179.68 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.44 ' CG ' ' HA ' ' A' ' 2' ' ' VAL . 7.1 t60 -88.0 -66.76 0.88 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.83 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.427 HD12 ' O ' ' A' ' 23' ' ' CYS . 9.4 tp -58.37 -23.3 21.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.881 -179.584 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.548 HG22 ' O ' ' A' ' 18' ' ' ALA . 7.3 t -47.61 -47.46 28.85 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.675 0.274 . . . . 0.0 111.328 -179.701 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.424 ' N ' HG23 ' A' ' 21' ' ' THR . 20.2 p-80 -110.12 -29.76 8.06 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.997 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.641 ' SG ' HD11 ' A' ' 7' ' ' LEU . 30.2 m -78.29 137.72 38.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.923 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -146.62 -66.67 0.28 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.91 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 2.9 pttt . . . . . 0 C--O 1.25 1.115 0 CA-C-O 118.187 -0.911 . . . . 1.0 110.843 -179.941 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 . . . . . 0 N--CA 1.487 1.391 0 CA-C-O 120.837 0.351 . . . . 0.0 111.2 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.864 HG22 ' HB2' ' A' ' 11' ' ' ALA . 10.7 p -59.47 -30.54 44.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.09 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -69.23 -28.37 66.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.004 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.522 HG22 ' O ' ' A' ' 4' ' ' THR . 19.2 m -110.66 25.6 11.6 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.185 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 53.6 t -65.07 156.31 31.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.813 0.339 . . . . 0.0 110.745 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.423 ' CE2' HD23 ' A' ' 7' ' ' LEU . 20.0 p90 -107.48 -48.43 3.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.035 -179.795 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.672 HD21 ' SG ' ' A' ' 23' ' ' CYS . 4.7 pp -79.15 148.69 71.77 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.056 -179.793 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.539 ' O ' HD12 ' A' ' 7' ' ' LEU . 60.8 Cg_endo -72.62 -167.85 0.36 Allowed 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.56 2.173 . . . . 0.0 112.325 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.2 mptt 58.9 30.87 20.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.871 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -129.49 161.5 30.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.797 -179.906 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.864 ' HB2' HG22 ' A' ' 2' ' ' VAL . . . 61.25 38.94 16.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.068 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -61.26 -30.99 70.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.055 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -138.72 30.87 2.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.169 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 59.45 30.9 20.63 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.097 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 11.1 t30 -97.36 120.1 37.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.842 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.435 HG13 ' N ' ' A' ' 17' ' ' ALA . 11.3 p -66.56 -42.17 89.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.072 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.435 ' N ' HG13 ' A' ' 16' ' ' VAL . . . -58.59 -46.02 87.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.996 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.653 ' O ' HG22 ' A' ' 21' ' ' THR . . . -58.45 -20.17 42.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.207 179.73 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.442 ' CD2' ' N ' ' A' ' 2' ' ' VAL . 6.0 t60 -86.42 -65.66 0.99 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.802 -179.874 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 5.7 tt -57.83 -20.52 14.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.834 -179.641 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.653 HG22 ' O ' ' A' ' 18' ' ' ALA . 13.3 t -55.21 -35.16 64.59 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.731 0.301 . . . . 0.0 111.378 -179.653 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 32.1 p-80 -130.96 13.42 5.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.599 -179.706 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.672 ' SG ' HD21 ' A' ' 7' ' ' LEU . 9.9 m -123.02 88.28 2.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.865 0.364 . . . . 0.0 110.987 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 85.9 m-85 -107.51 -68.15 0.91 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.874 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 3.6 ptpp? . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.246 -0.883 . . . . 1.0 110.933 -179.982 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' PHE . . . . . 0.43 ' HA ' HG23 ' A' ' 16' ' ' VAL . 41.5 m-85 . . . . . 0 N--CA 1.486 1.374 0 CA-C-O 120.838 0.351 . . . . 0.0 111.175 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.508 HG22 ' HB2' ' A' ' 11' ' ' ALA . 11.5 p -58.99 -31.23 45.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.097 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.0 m -63.97 -30.18 71.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.967 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.3 p -108.38 25.92 11.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.089 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 52.3 t -65.08 156.28 32.05 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.783 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.712 ' CE2' HD23 ' A' ' 7' ' ' LEU . 34.3 p90 -99.5 -47.12 5.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.008 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.712 HD23 ' CE2' ' A' ' 6' ' ' TYR . 4.2 pp -82.69 141.18 44.45 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.853 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -75.51 173.38 14.59 Favored 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 122.517 2.144 . . . . 0.0 112.416 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 6.9 tttp 61.63 44.71 8.71 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.917 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.2 t -120.6 -45.16 2.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.912 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.508 ' HB2' HG22 ' A' ' 2' ' ' VAL . . . -81.81 108.19 15.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.083 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -109.65 -31.12 7.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.163 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -153.04 34.63 0.47 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.065 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 60.24 30.99 20.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.146 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -90.57 117.25 29.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.817 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.43 HG23 ' HA ' ' A' ' 1' ' ' PHE . 11.3 p -70.29 -41.05 78.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.116 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.42 ' N ' HG13 ' A' ' 16' ' ' VAL . . . -58.93 -48.93 79.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.008 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.651 ' O ' HG22 ' A' ' 21' ' ' THR . . . -57.79 -20.68 37.15 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.253 179.891 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.421 ' CG ' ' HA ' ' A' ' 2' ' ' VAL . 4.8 t60 -86.35 -64.65 1.12 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.795 -179.909 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 8.1 tt -58.92 -19.85 16.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.837 -179.617 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.651 HG22 ' O ' ' A' ' 18' ' ' ALA . 13.7 t -56.15 -32.1 63.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.706 0.289 . . . . 0.0 111.365 -179.617 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 30.3 p-80 -134.21 15.1 3.83 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.633 -179.715 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.658 ' SG ' HD21 ' A' ' 7' ' ' LEU . 7.9 m -124.33 116.7 23.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.793 0.33 . . . . 0.0 110.966 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 87.2 m-85 -136.36 -48.8 0.65 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.904 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.254 -0.879 . . . . 1.0 110.923 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 91.1 m-85 . . . . . 0 N--CA 1.486 1.375 0 CA-C-O 120.847 0.356 . . . . 0.0 111.187 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.431 ' HA ' ' CG ' ' A' ' 19' ' ' HIS . 11.3 p -59.86 -30.7 45.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.022 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.7 m -67.99 -30.48 69.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.97 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 2.6 m -107.16 24.78 12.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.127 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 53.6 t -64.97 135.4 55.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.86 179.829 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.857 ' CE2' HD23 ' A' ' 7' ' ' LEU . 47.1 p90 -59.54 -38.99 82.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.948 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.857 HD23 ' CE2' ' A' ' 6' ' ' TYR . 4.4 pp -104.74 148.58 36.3 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.876 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 67.8 Cg_endo -74.29 -30.96 7.93 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.615 2.21 . . . . 0.0 112.465 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 5.3 tttt -68.22 72.69 0.2 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.98 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -159.31 -63.24 0.07 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.841 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -59.65 96.59 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.112 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -110.7 -31.1 7.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.112 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -148.86 31.11 0.79 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.132 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 59.85 31.09 20.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.087 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -95.66 117.63 30.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.938 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.427 HG13 ' N ' ' A' ' 17' ' ' ALA . 11.2 p -71.77 -41.59 70.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.083 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.427 ' N ' HG13 ' A' ' 16' ' ' VAL . . . -58.78 -45.94 88.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.996 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.657 ' O ' HG22 ' A' ' 21' ' ' THR . . . -58.82 -20.07 47.03 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.165 179.847 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.431 ' CG ' ' HA ' ' A' ' 2' ' ' VAL . 4.1 t60 -85.84 -65.54 1.0 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.825 -179.886 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 2.7 tt -57.82 -20.73 15.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.791 -179.631 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.657 HG22 ' O ' ' A' ' 18' ' ' ALA . 15.4 t -55.78 -33.8 64.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.66 0.266 . . . . 0.0 111.3 -179.619 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 28.6 p-80 -132.44 17.34 4.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.568 -0.287 . . . . 0.0 111.573 -179.749 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 6.1 m -126.28 111.02 14.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.83 0.348 . . . . 0.0 110.905 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 -144.09 -48.09 0.27 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.859 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.5 mmpt? . . . . . 0 C--O 1.248 0.998 0 CA-C-O 118.228 -0.892 . . . . 1.0 110.862 179.995 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 . . . . . 0 N--CA 1.486 1.34 0 CA-C-O 120.791 0.329 . . . . 0.0 111.231 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.621 HG22 ' HB2' ' A' ' 11' ' ' ALA . 11.3 p -59.02 -30.98 44.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.105 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 66.7 m -66.49 -30.53 70.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.902 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 43.7 p -109.65 27.59 9.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.021 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 50.4 t -65.07 156.3 31.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.779 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . 0.772 ' CE2' HD23 ' A' ' 7' ' ' LEU . 52.6 p90 -91.94 -45.92 8.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.079 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.772 HD23 ' CE2' ' A' ' 6' ' ' TYR . 4.7 pp -91.44 145.63 31.74 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.923 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -75.86 -179.16 4.91 Favored 'Trans proline' 0 C--N 1.343 0.273 0 C-N-CA 122.619 2.213 . . . . 0.0 112.36 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 7.9 mmtt 59.92 37.68 21.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.01 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -119.13 -41.26 2.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.887 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.621 ' HB2' HG22 ' A' ' 2' ' ' VAL . . . -88.4 101.09 13.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.089 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -110.52 -31.18 7.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.048 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -148.17 30.9 0.85 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.112 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 59.6 30.75 20.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.071 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -88.76 117.24 27.6 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.875 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.446 HG13 ' N ' ' A' ' 17' ' ' ALA . 11.2 p -70.2 -42.8 79.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.12 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.446 ' N ' HG13 ' A' ' 16' ' ' VAL . . . -58.43 -48.21 81.45 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.986 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.559 ' O ' HG22 ' A' ' 21' ' ' THR . . . -57.99 -20.01 35.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.221 179.713 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 5.7 t60 -88.2 -65.16 1.05 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.847 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 12.8 tt -60.92 -20.4 21.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.901 -179.585 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.559 HG22 ' O ' ' A' ' 18' ' ' ALA . 6.4 t -49.01 -47.63 44.31 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.85 0.357 . . . . 0.0 111.123 -179.786 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.423 ' N ' HG23 ' A' ' 21' ' ' THR . 21.7 p-80 -109.44 -29.0 8.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.915 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 54.3 m -79.53 123.69 27.8 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.954 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 20.3 m-85 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.961 179.998 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 11.2 m-85 . . . . . 0 N--CA 1.487 1.376 0 CA-C-O 120.84 0.352 . . . . 0.0 111.17 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.861 ' CG2' ' HB2' ' A' ' 11' ' ' ALA . 11.3 p -58.02 -40.55 77.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.121 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . 0.405 ' N ' HG13 ' A' ' 2' ' ' VAL . 6.0 m -60.35 -29.82 69.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.848 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.3 p -108.95 26.48 10.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.095 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 54.0 t -65.07 152.87 42.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.73 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . 0.57 ' CE2' HD23 ' A' ' 7' ' ' LEU . 40.2 p90 -101.62 -49.34 4.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.127 -179.794 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.673 HD21 ' SG ' ' A' ' 23' ' ' CYS . 4.6 pp -80.46 146.71 62.07 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.007 -179.86 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.487 ' O ' HD12 ' A' ' 7' ' ' LEU . 60.7 Cg_endo -72.93 -168.19 0.4 Allowed 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.553 2.168 . . . . 0.0 112.298 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 14.5 mtpp 59.62 31.36 20.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.877 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -126.5 160.67 29.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.82 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.861 ' HB2' ' CG2' ' A' ' 2' ' ' VAL . . . 61.34 90.5 0.07 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.057 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -108.98 -31.13 7.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.098 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -140.7 30.75 1.87 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.114 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 59.34 77.86 0.29 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.189 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 37.1 t30 -147.57 125.41 11.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.827 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.418 HG13 ' N ' ' A' ' 17' ' ' ALA . 12.3 p -69.66 -41.29 80.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.138 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.418 ' N ' HG13 ' A' ' 16' ' ' VAL . . . -58.52 -47.23 84.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.044 179.868 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.543 ' O ' HG22 ' A' ' 21' ' ' THR . . . -57.91 -20.03 34.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.211 179.742 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.416 ' CG ' ' HA ' ' A' ' 2' ' ' VAL . 6.2 t60 -87.78 -65.87 0.97 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.879 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 3.4 tt -60.33 -21.49 22.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.906 -179.521 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.543 HG22 ' O ' ' A' ' 18' ' ' ALA . 6.9 t -48.4 -47.88 37.32 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.794 0.33 . . . . 0.0 111.147 -179.853 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.432 ' N ' HG23 ' A' ' 21' ' ' THR . 34.1 p-80 -109.03 -28.45 9.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.913 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.673 ' SG ' HD21 ' A' ' 7' ' ' LEU . 56.7 m -80.73 137.16 36.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.935 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 . . . . . 0 C--N 1.33 -0.259 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.928 179.976 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 55.4 m-85 . . . . . 0 N--CA 1.486 1.357 0 CA-C-O 120.895 0.378 . . . . 0.0 111.172 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.793 ' CG2' ' HB2' ' A' ' 11' ' ' ALA . 11.4 p -58.54 -36.39 59.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.078 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.5 m -60.43 -29.56 69.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.89 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.3 m -108.06 24.73 12.53 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.144 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 51.8 t -65.12 156.19 32.43 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.717 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . 0.518 ' CZ ' HD23 ' A' ' 7' ' ' LEU . 53.8 p90 -108.07 -47.75 3.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.108 -179.804 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.658 HD21 ' SG ' ' A' ' 23' ' ' CYS . 4.7 pp -81.34 147.25 59.8 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.028 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.569 ' O ' HD12 ' A' ' 7' ' ' LEU . 59.0 Cg_endo -71.89 -168.06 0.34 Allowed 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 122.563 2.175 . . . . 0.0 112.371 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 59.54 31.26 20.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.863 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -127.97 166.23 18.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.847 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.793 ' HB2' ' CG2' ' A' ' 2' ' ' VAL . . . 61.11 89.95 0.07 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.084 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -110.35 -31.0 7.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.102 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -145.63 35.06 1.04 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.071 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 59.7 31.1 20.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.053 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -97.03 109.98 22.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.891 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 10.9 p -60.72 -39.26 81.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.073 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.405 ' O ' ' HB ' ' A' ' 21' ' ' THR . . . -58.83 -45.47 89.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.006 179.877 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.553 ' O ' HG22 ' A' ' 21' ' ' THR . . . -58.16 -19.59 34.13 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.307 179.672 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.427 ' CG ' ' HA ' ' A' ' 2' ' ' VAL . 6.7 t60 -87.59 -66.59 0.9 Allowed 'General case' 0 CA--C 1.53 0.194 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.856 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 6.6 tt -59.49 -21.49 20.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.929 -179.526 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.553 HG22 ' O ' ' A' ' 18' ' ' ALA . 7.9 t -49.05 -47.25 44.97 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-O 120.755 0.312 . . . . 0.0 111.117 -179.777 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.424 ' N ' HG23 ' A' ' 21' ' ' THR . 36.5 p-80 -109.78 -29.0 8.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.852 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.658 ' SG ' HD21 ' A' ' 7' ' ' LEU . 47.7 m -79.78 136.48 36.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.871 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 4.4 m-85 . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.916 179.942 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 77.3 m-85 . . . . . 0 N--CA 1.487 1.388 0 CA-C-O 120.814 0.34 . . . . 0.0 111.163 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.696 HG22 ' HB2' ' A' ' 11' ' ' ALA . 11.2 p -59.71 -42.14 87.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.058 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . 0.438 ' N ' HG13 ' A' ' 2' ' ' VAL . 0.3 OUTLIER -59.88 -31.51 69.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.879 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 26.8 m -73.47 -22.23 60.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.084 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 7.2 t -57.99 128.92 39.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.98 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . 0.408 ' CD1' ' N ' ' A' ' 7' ' ' LEU . 28.0 p90 -88.91 -44.65 10.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.925 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.609 HD12 ' O ' ' A' ' 8' ' ' PRO . 4.3 pp -75.73 143.62 75.35 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.916 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.609 ' O ' HD12 ' A' ' 7' ' ' LEU . 73.0 Cg_endo -74.93 -168.29 0.5 Allowed 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.568 2.179 . . . . 0.0 112.366 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 6.4 mtpp 60.14 38.32 20.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.944 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -137.38 -48.43 0.59 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.917 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.696 ' HB2' HG22 ' A' ' 2' ' ' VAL . . . -90.61 94.58 9.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.037 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -107.41 -31.97 7.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.119 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -142.02 29.72 1.66 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.189 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 58.41 30.58 19.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.194 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.7 t30 -89.67 110.32 21.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.864 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.401 HG13 ' N ' ' A' ' 17' ' ' ALA . 10.9 p -63.68 -40.02 87.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.118 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.401 ' N ' HG13 ' A' ' 16' ' ' VAL . . . -59.0 -50.45 74.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.055 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.601 ' O ' HG22 ' A' ' 21' ' ' THR . . . -57.75 -20.27 33.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.252 179.774 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 5.1 t60 -88.36 -64.2 1.18 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.765 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.754 HD12 ' O ' ' A' ' 23' ' ' CYS . 8.9 tp -60.24 -19.0 17.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.892 -179.659 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.601 HG22 ' O ' ' A' ' 18' ' ' ALA . 8.9 t -48.7 -47.01 41.34 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.801 0.334 . . . . 0.0 111.203 -179.824 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.438 ' N ' HG23 ' A' ' 21' ' ' THR . 23.8 p-80 -112.45 -29.84 7.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.993 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.754 ' O ' HD12 ' A' ' 20' ' ' ILE . 22.4 m -75.92 128.07 34.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.984 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 6.9 m-85 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.859 -179.954 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 . . . . . 0 N--CA 1.486 1.355 0 CA-C-O 120.846 0.355 . . . . 0.0 111.242 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.845 HG22 ' HB2' ' A' ' 11' ' ' ALA . 11.4 p -58.48 -30.98 42.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.165 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.6 t -65.59 -30.44 71.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.931 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 2.9 m -109.33 27.18 9.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.101 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 49.1 t -65.06 156.29 31.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.859 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . 0.524 ' CE1' HD23 ' A' ' 7' ' ' LEU . 51.5 p90 -97.08 -46.87 6.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.008 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.524 HD23 ' CE1' ' A' ' 6' ' ' TYR . 4.2 pp -85.44 144.12 39.93 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.896 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.478 ' O ' HD12 ' A' ' 7' ' ' LEU . 73.2 Cg_endo -76.09 176.89 9.46 Favored 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 122.509 2.139 . . . . 0.0 112.321 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 6.2 mmtp 60.26 44.95 11.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.918 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -122.77 -43.44 2.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.831 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.845 ' HB2' HG22 ' A' ' 2' ' ' VAL . . . -97.11 103.98 15.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.128 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -110.77 -31.83 7.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.192 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -142.95 29.98 1.47 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.155 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 58.79 77.29 0.31 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.15 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 5.0 t30 -137.91 119.65 15.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.803 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.441 HG13 ' N ' ' A' ' 17' ' ' ALA . 11.9 p -73.14 -42.5 58.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.114 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.441 ' N ' HG13 ' A' ' 16' ' ' VAL . . . -58.59 -51.0 71.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.026 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.574 ' O ' HG22 ' A' ' 21' ' ' THR . . . -57.5 -20.19 29.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.198 179.764 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.405 ' CG ' ' HA ' ' A' ' 2' ' ' VAL . 5.2 t60 -87.65 -64.84 1.09 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.813 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.439 HD12 ' O ' ' A' ' 23' ' ' CYS . 9.2 tp -60.24 -23.21 26.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.773 -179.599 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.574 HG22 ' O ' ' A' ' 18' ' ' ALA . 8.8 t -47.36 -45.27 24.69 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.757 0.313 . . . . 0.0 111.336 -179.718 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 20.6 p-80 -111.93 -31.79 6.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.973 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.496 ' SG ' HD21 ' A' ' 7' ' ' LEU . 26.2 m -75.54 133.9 40.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.859 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 9.6 m-85 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.948 179.971 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 35.5 m-85 . . . . . 0 N--CA 1.485 1.318 0 CA-C-O 120.843 0.354 . . . . 0.0 111.178 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.803 HG22 ' HB2' ' A' ' 11' ' ' ALA . 11.6 p -58.97 -42.01 84.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.097 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . 0.431 ' N ' HG13 ' A' ' 2' ' ' VAL . 1.8 m -60.71 -29.12 69.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.954 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 2.7 m -107.91 24.2 13.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.118 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 51.2 t -65.07 156.17 32.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.73 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . 0.466 ' CZ ' HD23 ' A' ' 7' ' ' LEU . 46.4 p90 -105.76 -48.29 3.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.073 -179.76 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.687 HD21 ' SG ' ' A' ' 23' ' ' CYS . 4.6 pp -79.81 148.93 69.89 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.118 -179.883 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.592 ' O ' HD12 ' A' ' 7' ' ' LEU . 57.6 Cg_endo -71.33 -167.84 0.31 Allowed 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.584 2.189 . . . . 0.0 112.322 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 59.41 31.32 20.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.878 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -132.58 164.1 27.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.815 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.803 ' HB2' HG22 ' A' ' 2' ' ' VAL . . . 61.05 82.33 0.17 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.108 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -110.83 -31.02 7.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.125 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -141.53 32.93 1.65 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.064 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 59.43 30.96 20.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.107 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 6.5 m120 -96.32 119.94 35.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.874 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 10.9 p -71.36 -40.08 72.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.084 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.41 ' O ' ' HB ' ' A' ' 21' ' ' THR . . . -58.63 -46.5 86.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.936 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.548 ' O ' HG22 ' A' ' 21' ' ' THR . . . -57.54 -20.14 29.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.321 179.73 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.432 ' CG ' ' HA ' ' A' ' 2' ' ' VAL . 6.5 t60 -87.28 -66.4 0.91 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.86 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 3.7 tt -60.01 -22.09 23.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.909 -179.474 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.548 HG22 ' O ' ' A' ' 18' ' ' ALA . 7.8 t -48.28 -47.49 36.3 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.854 0.359 . . . . 0.0 111.186 -179.823 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.427 ' N ' HG23 ' A' ' 21' ' ' THR . 36.6 p-80 -109.22 -28.24 9.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.86 179.883 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.687 ' SG ' HD21 ' A' ' 7' ' ' LEU . 56.5 m -81.44 138.16 35.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.894 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.911 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 . . . . . 0 N--CA 1.486 1.356 0 CA-C-O 120.843 0.354 . . . . 0.0 111.26 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.681 HG22 ' HB2' ' A' ' 11' ' ' ALA . 12.2 p -58.85 -42.84 86.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.11 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . 0.451 ' N ' HG13 ' A' ' 2' ' ' VAL . 1.4 t -59.49 -28.82 67.37 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.995 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.449 ' O ' HG22 ' A' ' 4' ' ' THR . 7.7 m -110.12 26.22 10.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.152 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 53.3 t -64.99 156.15 32.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.704 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . 0.517 ' CE2' HD23 ' A' ' 7' ' ' LEU . 39.4 p90 -103.96 -47.8 4.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.118 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.687 HD21 ' SG ' ' A' ' 23' ' ' CYS . 4.6 pp -81.56 149.14 63.98 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.949 -179.841 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.597 ' O ' HD12 ' A' ' 7' ' ' LEU . 58.2 Cg_endo -71.37 -167.89 0.31 Allowed 'Trans proline' 0 C--N 1.345 0.342 0 C-N-CA 122.647 2.231 . . . . 0.0 112.38 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 59.48 30.72 20.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.835 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -131.59 171.26 13.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.878 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.681 ' HB2' HG22 ' A' ' 2' ' ' VAL . . . 60.34 41.23 16.59 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.135 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -65.58 -30.89 71.68 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.095 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -146.8 30.95 0.96 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.156 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 59.26 31.23 21.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.074 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -94.32 120.81 35.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.923 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.48 HG13 ' N ' ' A' ' 17' ' ' ALA . 11.2 p -67.11 -45.07 87.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.057 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.48 ' N ' HG13 ' A' ' 16' ' ' VAL . . . -58.33 -47.64 83.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.906 179.807 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.551 ' O ' HG22 ' A' ' 21' ' ' THR . . . -58.34 -20.01 39.86 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.213 179.705 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.425 ' CG ' ' HA ' ' A' ' 2' ' ' VAL . 5.2 t60 -87.56 -65.29 1.03 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.895 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 2.8 tt -60.68 -22.07 25.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.959 -179.58 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.551 HG22 ' O ' ' A' ' 18' ' ' ALA . 7.4 t -48.4 -47.31 37.76 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-O 120.769 0.319 . . . . 0.0 111.091 -179.759 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.428 ' N ' HG23 ' A' ' 21' ' ' THR . 39.0 p-80 -108.82 -28.21 9.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.854 179.873 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.687 ' SG ' HD21 ' A' ' 7' ' ' LEU . 59.7 m -81.86 134.61 35.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.918 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 10.2 m-85 . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.905 179.993 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 25.4 m-85 . . . . . 0 N--CA 1.485 1.325 0 CA-C-O 120.74 0.305 . . . . 0.0 111.247 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.559 HG22 ' HB2' ' A' ' 11' ' ' ALA . 12.4 p -58.54 -32.58 46.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.027 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.6 m -64.53 -29.66 70.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.989 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 3.0 m -107.49 24.0 13.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.162 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 51.9 t -65.04 156.5 31.23 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.704 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . 0.774 ' CZ ' HD23 ' A' ' 7' ' ' LEU . 52.6 p90 -96.35 -37.92 10.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.055 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.774 HD23 ' CZ ' ' A' ' 6' ' ' TYR . 2.1 pp -97.1 143.13 25.6 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.921 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.685 ' O ' HD12 ' A' ' 7' ' ' LEU . 68.5 Cg_endo -74.28 -176.26 2.61 Favored 'Trans proline' 0 C--N 1.346 0.407 0 C-N-CA 122.598 2.198 . . . . 0.0 112.345 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 21.4 mttt 59.36 31.08 20.84 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.982 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -115.1 -38.25 3.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.938 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.559 ' HB2' HG22 ' A' ' 2' ' ' VAL . . . -93.75 99.0 11.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.088 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -110.42 -31.25 7.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.063 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -146.95 31.0 0.95 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.143 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 59.43 30.86 20.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.157 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 37.5 m-20 -87.94 115.42 25.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.844 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.453 HG13 ' N ' ' A' ' 17' ' ' ALA . 11.2 p -69.91 -43.29 79.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.079 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.453 ' N ' HG13 ' A' ' 16' ' ' VAL . . . -58.31 -47.16 84.59 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.957 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.556 ' O ' HG22 ' A' ' 21' ' ' THR . . . -58.33 -19.72 37.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.281 179.62 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.423 ' CG ' ' HA ' ' A' ' 2' ' ' VAL . 6.3 t60 -88.34 -65.71 0.99 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.785 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 3.7 tt -60.21 -20.36 20.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.949 -179.528 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.556 HG22 ' O ' ' A' ' 18' ' ' ALA . 6.5 t -49.26 -47.71 46.39 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-O 120.821 0.343 . . . . 0.0 111.12 -179.839 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.424 ' N ' HG23 ' A' ' 21' ' ' THR . 20.9 p-80 -109.57 -29.38 8.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.874 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.507 ' SG ' HD21 ' A' ' 7' ' ' LEU . 46.4 m -78.81 107.7 11.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.855 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.919 179.921 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.487 1.401 0 CA-C-O 120.753 0.311 . . . . 0.0 111.215 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.754 HG22 ' HB2' ' A' ' 11' ' ' ALA . 11.4 p -58.44 -31.18 42.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.099 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 37.7 m -72.79 -29.39 63.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.905 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.5 m -108.57 24.64 12.76 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.113 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 53.1 t -65.04 145.32 56.48 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.746 179.838 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . 0.658 ' CE2' HD23 ' A' ' 7' ' ' LEU . 47.3 p90 -93.94 -48.91 6.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.198 -179.881 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.722 HD21 ' SG ' ' A' ' 23' ' ' CYS . 4.1 pp -78.14 145.74 69.73 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.939 -179.874 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.446 ' O ' HD12 ' A' ' 7' ' ' LEU . 63.3 Cg_endo -73.41 -168.07 0.41 Allowed 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 122.634 2.223 . . . . 0.0 112.321 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 59.61 32.27 21.44 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.81 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -129.03 171.57 12.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.858 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.754 ' HB2' HG22 ' A' ' 2' ' ' VAL . . . 60.98 43.95 10.95 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.098 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.62 -31.02 69.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.08 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -144.22 30.35 1.27 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.187 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 59.03 30.92 20.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.168 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -97.63 127.44 43.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.848 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.47 HG13 ' N ' ' A' ' 17' ' ' ALA . 12.4 p -66.63 -44.32 89.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.13 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.47 ' N ' HG13 ' A' ' 16' ' ' VAL . . . -58.03 -46.6 85.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.003 179.884 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.543 ' O ' HG22 ' A' ' 21' ' ' THR . . . -58.55 -19.64 39.62 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.304 179.636 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.403 ' CG ' ' HA ' ' A' ' 2' ' ' VAL . 6.1 t60 -88.06 -65.71 0.99 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.798 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 7.8 tt -60.25 -21.34 22.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.891 -179.539 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.543 HG22 ' O ' ' A' ' 18' ' ' ALA . 6.6 t -48.49 -47.9 38.32 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-O 120.871 0.367 . . . . 0.0 111.218 -179.814 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.429 ' N ' HG23 ' A' ' 21' ' ' THR . 26.9 p-80 -109.07 -28.83 8.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.83 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.722 ' SG ' HD21 ' A' ' 7' ' ' LEU . 55.8 m -80.15 118.6 21.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.968 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.865 -179.96 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 6.8 m-85 . . . . . 0 N--CA 1.487 1.397 0 CA-C-O 120.79 0.329 . . . . 0.0 111.209 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 11.6 p -59.71 -31.1 46.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.053 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.3 m -65.18 -30.96 71.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.94 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -108.35 26.96 9.83 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.03 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 50.0 t -65.03 156.33 31.77 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.875 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . 0.493 ' CZ ' HD23 ' A' ' 7' ' ' LEU . 50.8 p90 -97.05 -46.15 6.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.028 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.584 HD21 ' SG ' ' A' ' 23' ' ' CYS . 4.2 pp -86.57 145.28 39.09 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.007 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.556 ' O ' HD12 ' A' ' 7' ' ' LEU . 72.8 Cg_endo -76.17 -176.46 3.07 Favored 'Trans proline' 0 C--N 1.344 0.3 0 C-N-CA 122.586 2.19 . . . . 0.0 112.375 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 32.9 mttt 59.09 30.6 20.44 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.017 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -115.23 -35.71 4.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.991 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -84.16 57.37 4.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.146 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -111.91 -32.69 6.52 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.141 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.404 ' O ' ' HB3' ' A' ' 14' ' ' ALA . . . -93.91 -20.37 20.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.274 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.404 ' HB3' ' O ' ' A' ' 13' ' ' ALA . . . 66.84 31.24 7.42 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.82 0.343 . . . . 0.0 111.038 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -127.44 133.86 49.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.8 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.408 HG13 ' N ' ' A' ' 17' ' ' ALA . 11.1 p -59.24 -41.1 82.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.137 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.408 ' N ' HG13 ' A' ' 16' ' ' VAL . . . -59.31 -47.66 84.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.947 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.551 ' O ' HG22 ' A' ' 21' ' ' THR . . . -58.35 -19.68 37.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.269 179.761 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 5.3 t60 -87.96 -65.06 1.06 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.837 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.417 ' CG1' ' CE1' ' A' ' 24' ' ' TYR . 6.0 tt -61.39 -20.57 23.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.866 -179.47 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.551 HG22 ' O ' ' A' ' 18' ' ' ALA . 6.5 t -48.52 -47.95 38.69 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.809 0.337 . . . . 0.0 111.188 -179.815 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.431 ' N ' HG23 ' A' ' 21' ' ' THR . 23.8 p-80 -108.87 -28.59 9.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.806 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.584 ' SG ' HD21 ' A' ' 7' ' ' LEU . 58.3 m -80.25 105.79 11.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.958 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.417 ' CE1' ' CG1' ' A' ' 20' ' ' ILE . 5.1 m-85 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.898 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 1.6 t80 . . . . . 0 N--CA 1.486 1.352 0 CA-C-O 120.871 0.367 . . . . 0.0 111.148 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.611 HG22 ' HB2' ' A' ' 11' ' ' ALA . 11.4 p -58.95 -30.24 42.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.121 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.99 -29.06 60.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.017 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.5 m -103.15 16.82 25.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.312 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 47.2 t -65.2 130.13 42.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.88 0.371 . . . . 0.0 110.766 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 52.1 p90 -86.88 -42.58 13.11 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.133 -179.852 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.769 HD21 ' SG ' ' A' ' 23' ' ' CYS . 0.7 OUTLIER -76.34 145.48 76.22 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.941 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 62.6 Cg_endo -73.24 -168.28 0.42 Allowed 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 122.555 2.17 . . . . 0.0 112.396 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.2 tttp 59.52 38.05 22.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.913 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -139.97 166.5 24.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.91 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.611 ' HB2' HG22 ' A' ' 2' ' ' VAL . . . 60.5 84.36 0.13 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.069 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -110.19 -31.15 7.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.129 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -138.13 30.49 2.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.127 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 59.19 30.89 20.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.124 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -98.78 129.52 45.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.853 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 11.1 p -75.35 -39.4 41.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.088 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.86 -45.15 90.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.993 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.543 ' O ' HG22 ' A' ' 21' ' ' THR . . . -58.36 -19.55 36.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.264 179.7 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.421 ' CG ' ' HA ' ' A' ' 2' ' ' VAL . 6.8 t60 -87.77 -66.41 0.92 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.868 -179.888 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 2.8 tt -59.79 -21.59 21.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.951 -179.545 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.543 HG22 ' O ' ' A' ' 18' ' ' ALA . 7.0 t -48.29 -47.89 36.12 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.828 0.347 . . . . 0.0 111.195 -179.851 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.429 ' N ' HG23 ' A' ' 21' ' ' THR . 25.6 p-80 -109.15 -29.04 8.72 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.891 179.844 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.769 ' SG ' HD21 ' A' ' 7' ' ' LEU . 56.1 m -80.17 120.78 24.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.925 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.33 -0.244 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.887 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 94.1 m-85 . . . . . 0 N--CA 1.487 1.378 0 CA-C-O 120.802 0.334 . . . . 0.0 111.153 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.635 HG22 ' HB2' ' A' ' 11' ' ' ALA . 11.3 p -71.66 -40.79 71.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.025 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . 0.406 ' N ' HG13 ' A' ' 2' ' ' VAL . 39.4 m -59.53 -32.05 69.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.78 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -75.37 -19.53 59.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.191 179.837 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 11.7 t -54.46 159.42 2.07 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.872 0.368 . . . . 0.0 111.048 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 8.4 p90 -126.05 -40.69 1.99 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.249 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.49 HD23 ' H ' ' A' ' 7' ' ' LEU . 0.7 OUTLIER -74.94 145.66 81.51 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.981 -179.734 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 45.3 Cg_exo -56.2 -165.3 0.02 OUTLIER 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 122.598 2.199 . . . . 0.0 112.272 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 57.16 30.88 19.06 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.949 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.3 m -151.52 158.61 43.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.899 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.635 ' HB2' HG22 ' A' ' 2' ' ' VAL . . . 61.85 72.26 0.51 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.122 -179.901 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -110.67 -31.04 7.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.083 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -149.85 31.03 0.71 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.122 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 60.18 78.97 0.25 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.09 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -145.76 120.05 9.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.883 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.42 HG13 ' N ' ' A' ' 17' ' ' ALA . 12.0 p -72.52 -41.05 63.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.064 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.42 ' N ' HG13 ' A' ' 16' ' ' VAL . . . -59.12 -50.04 75.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.042 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.585 ' O ' HG22 ' A' ' 21' ' ' THR . . . -58.46 -19.72 39.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.269 179.82 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 4.2 t60 -88.34 -63.79 1.24 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.817 0.341 . . . . 0.0 110.831 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 14.8 tt -61.81 -17.9 18.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.834 -179.582 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.585 HG22 ' O ' ' A' ' 18' ' ' ALA . 9.7 t -49.96 -47.32 52.67 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.829 0.347 . . . . 0.0 111.118 -179.858 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.443 ' N ' HG23 ' A' ' 21' ' ' THR . 18.6 p-80 -110.26 -30.31 7.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.806 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.48 ' SG ' HD21 ' A' ' 7' ' ' LEU . 47.4 m -76.91 124.72 28.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.873 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 7.3 m-85 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.915 179.998 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 36.2 m-85 . . . . . 0 N--CA 1.487 1.388 0 CA-C-O 120.751 0.31 . . . . 0.0 111.192 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.482 HG23 ' HB2' ' A' ' 19' ' ' HIS . 11.1 p -70.67 -43.41 77.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.049 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . 0.464 ' N ' HG13 ' A' ' 2' ' ' VAL . 69.5 m -59.37 -43.04 92.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.893 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 44.4 p -63.01 -19.89 64.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.147 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 18.1 t -55.37 152.17 8.95 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.103 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . 0.422 ' CD1' ' N ' ' A' ' 7' ' ' LEU . 8.4 p90 -119.6 -36.67 3.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.109 -179.793 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.719 HD12 ' O ' ' A' ' 8' ' ' PRO . 4.6 pp -74.83 142.79 77.18 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.036 -179.823 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.719 ' O ' HD12 ' A' ' 7' ' ' LEU . 46.5 Cg_exo -56.0 -166.41 0.02 OUTLIER 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 122.529 2.152 . . . . 0.0 112.27 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 9.7 mptt 57.06 31.24 19.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.944 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.4 m -150.75 164.77 35.38 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.91 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . 60.91 38.85 17.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.042 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -78.39 -31.0 48.12 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.07 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -146.92 30.73 0.96 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.107 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 59.41 30.97 20.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.124 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 28.4 t-20 -93.64 118.16 31.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.853 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.46 HG13 ' N ' ' A' ' 17' ' ' ALA . 12.4 p -70.52 -43.61 77.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.079 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.46 ' N ' HG13 ' A' ' 16' ' ' VAL . . . -58.73 -47.0 86.12 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.94 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.615 ' O ' HG22 ' A' ' 21' ' ' THR . . . -59.9 -18.8 47.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.266 179.828 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.482 ' HB2' HG23 ' A' ' 2' ' ' VAL . 4.0 t60 -86.92 -64.08 1.21 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.858 0.361 . . . . 0.0 110.872 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 2.6 tt -62.39 -17.08 17.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.843 -179.503 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.615 HG22 ' O ' ' A' ' 18' ' ' ALA . 9.0 t -51.71 -43.9 63.0 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.816 0.341 . . . . 0.0 111.14 -179.853 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 13.9 p-80 -112.95 -32.46 6.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.954 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.444 ' SG ' HD21 ' A' ' 7' ' ' LEU . 27.6 m -73.75 133.46 43.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.975 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.807 -179.963 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 16.0 m-85 . . . . . 0 N--CA 1.487 1.414 0 CA-C-O 120.854 0.359 . . . . 0.0 111.202 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.49 HG13 ' N ' ' A' ' 3' ' ' SER . 11.2 p -59.42 -44.77 93.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.06 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . 0.49 ' N ' HG13 ' A' ' 2' ' ' VAL . 8.9 t -62.37 -30.0 70.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.925 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.437 ' O ' HG22 ' A' ' 4' ' ' THR . 7.9 m -112.02 29.93 7.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.01 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 50.5 t -65.06 149.7 49.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.784 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . 0.763 ' CE1' HD23 ' A' ' 7' ' ' LEU . 51.8 p90 -78.33 -48.35 15.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.2 -179.723 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.763 HD23 ' CE1' ' A' ' 6' ' ' TYR . 4.6 pp -87.95 148.09 42.47 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.976 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.53 ' O ' HD12 ' A' ' 7' ' ' LEU . 63.9 Cg_endo -73.54 -175.09 1.88 Allowed 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 122.603 2.202 . . . . 0.0 112.387 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 28.7 mttp 57.72 33.86 23.75 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.89 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -131.57 64.4 1.59 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.88 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -176.71 93.97 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.095 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -110.16 -31.21 7.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.132 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -156.21 30.57 0.34 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.155 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 59.29 32.83 22.23 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.136 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 7.2 m120 -84.94 119.63 25.59 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.909 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.49 HG13 ' N ' ' A' ' 17' ' ' ALA . 12.1 p -72.4 -44.92 61.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.038 -179.905 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.49 ' N ' HG13 ' A' ' 16' ' ' VAL . . . -58.13 -47.55 82.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.979 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.556 ' O ' HG22 ' A' ' 21' ' ' THR . . . -59.3 -19.18 44.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.247 179.732 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 3.7 t60 -87.56 -64.41 1.15 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.932 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 11.7 tt -61.54 -22.46 28.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.822 -179.453 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.556 HG22 ' O ' ' A' ' 18' ' ' ALA . 8.2 t -48.19 -47.4 35.35 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.922 0.392 . . . . 0.0 111.173 -179.841 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.436 ' N ' HG23 ' A' ' 21' ' ' THR . 31.1 p-80 -107.8 -28.42 9.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.847 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 67.0 m -81.81 109.06 15.85 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.938 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 8.8 m-85 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.841 179.979 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 . . . . . 0 N--CA 1.487 1.377 0 CA-C-O 120.862 0.363 . . . . 0.0 111.196 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.747 HG22 ' HB2' ' A' ' 11' ' ' ALA . 11.2 p -59.88 -30.83 46.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.126 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.6 t -61.83 -29.02 69.89 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.109 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -100.21 11.93 38.23 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.425 -179.897 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 43.6 t -65.15 153.7 40.14 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.817 0.341 . . . . 0.0 110.729 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . 0.665 ' CE1' HD23 ' A' ' 7' ' ' LEU . 18.1 p90 -114.74 -44.56 3.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.024 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.665 HD23 ' CE1' ' A' ' 6' ' ' TYR . 1.8 pp -74.89 147.38 83.89 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.933 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.408 ' O ' HD12 ' A' ' 7' ' ' LEU . 56.3 Cg_endo -70.38 -168.11 0.28 Allowed 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.582 2.188 . . . . 0.0 112.406 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 59.52 31.46 21.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.851 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -135.24 162.32 32.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.878 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.747 ' HB2' HG22 ' A' ' 2' ' ' VAL . . . 61.0 80.54 0.21 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.121 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -109.76 -31.29 7.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.069 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -139.35 31.15 2.13 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.111 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 59.58 30.81 20.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.143 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 6.1 t30 -97.35 121.99 39.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.904 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 11.2 p -71.2 -40.01 73.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.062 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.4 ' O ' ' HB ' ' A' ' 21' ' ' THR . . . -58.41 -45.37 88.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.94 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.549 ' O ' HG22 ' A' ' 21' ' ' THR . . . -58.67 -19.19 37.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.234 179.795 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.428 ' CG ' ' HA ' ' A' ' 2' ' ' VAL . 6.9 t60 -88.3 -66.5 0.91 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.818 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 3.2 tt -59.51 -20.69 19.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.869 -179.47 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.549 HG22 ' O ' ' A' ' 18' ' ' ALA . 6.6 t -49.31 -47.87 46.69 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.835 0.35 . . . . 0.0 111.192 -179.81 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.424 ' N ' HG23 ' A' ' 21' ' ' THR . 20.8 p-80 -109.3 -29.84 8.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.895 179.882 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.593 ' SG ' HD21 ' A' ' 7' ' ' LEU . 41.4 m -78.52 134.62 37.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.908 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.9 -179.992 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 45.7 m-85 . . . . . 0 N--CA 1.487 1.375 0 CA-C-O 120.837 0.351 . . . . 0.0 111.211 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.806 ' CG2' ' HB2' ' A' ' 11' ' ' ALA . 11.7 p -58.17 -34.48 49.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.126 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -64.61 -29.6 70.61 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.936 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 3.6 m -107.04 23.62 14.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.118 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 49.8 t -65.04 156.39 31.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.825 0.345 . . . . 0.0 110.706 179.833 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . 0.727 ' CE2' HD23 ' A' ' 7' ' ' LEU . 18.3 p90 -110.48 -48.97 3.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.098 -179.869 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.727 HD23 ' CE2' ' A' ' 6' ' ' TYR . 3.4 pp -78.41 125.77 84.18 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.921 -179.861 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 48.3 Cg_exo -55.75 -166.81 0.02 OUTLIER 'Trans proline' 0 C--N 1.346 0.446 0 C-N-CA 122.441 2.094 . . . . 0.0 112.29 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 58.68 31.36 21.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.929 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -126.97 168.17 14.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.88 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.806 ' HB2' ' CG2' ' A' ' 2' ' ' VAL . . . 60.88 92.43 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.091 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -110.19 -31.21 7.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.092 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -139.13 30.74 2.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.12 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 59.58 30.96 20.62 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.155 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -99.65 126.85 45.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.852 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 12.2 p -69.49 -39.32 78.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.02 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.68 -45.39 89.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.991 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.543 ' O ' HG22 ' A' ' 21' ' ' THR . . . -58.26 -19.57 35.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.306 179.706 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.416 ' CG ' ' HA ' ' A' ' 2' ' ' VAL . 6.7 t60 -87.79 -66.44 0.91 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.852 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 6.5 tt -59.75 -21.51 21.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.918 -179.533 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.543 HG22 ' O ' ' A' ' 18' ' ' ALA . 7.1 t -48.39 -47.97 37.22 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.892 0.377 . . . . 0.0 111.146 -179.826 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.432 ' N ' HG23 ' A' ' 21' ' ' THR . 25.3 p-80 -109.02 -28.94 8.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.903 179.867 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.677 ' SG ' HD21 ' A' ' 7' ' ' LEU . 55.9 m -80.21 136.78 36.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.9 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 10.2 m-85 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.883 179.995 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 1' ' ' PHE . . . . . 0.654 ' HA ' HG23 ' A' ' 16' ' ' VAL . 39.8 m-85 . . . . . 0 N--CA 1.486 1.344 0 CA-C-O 120.812 0.339 . . . . 0.0 111.193 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.579 HG22 ' HB2' ' A' ' 11' ' ' ALA . 11.1 p -58.99 -30.72 44.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.067 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.5 m -60.43 -29.02 68.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.972 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.401 HG22 ' O ' ' A' ' 4' ' ' THR . 6.1 m -98.94 11.7 38.13 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.381 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 33.0 t -65.07 143.37 57.96 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.753 0.311 . . . . 0.0 110.735 179.841 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 43.9 p90 -120.03 28.76 7.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.249 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.641 HD11 ' SG ' ' A' ' 23' ' ' CYS . 0.7 OUTLIER -151.32 154.92 34.28 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.901 179.929 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -69.98 -173.1 0.68 Allowed 'Trans proline' 0 C--N 1.343 0.28 0 C-N-CA 122.553 2.169 . . . . 0.0 112.281 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 60.84 36.86 18.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.898 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -147.82 165.23 31.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.836 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.579 ' HB2' HG22 ' A' ' 2' ' ' VAL . . . 60.95 75.19 0.42 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.157 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -110.73 -31.11 7.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.09 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -145.1 31.2 1.13 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.108 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 59.73 30.98 20.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.146 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 6.3 t-20 -96.51 112.89 24.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.915 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.654 HG23 ' HA ' ' A' ' 1' ' ' PHE . 11.3 p -64.89 -39.95 87.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.075 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.405 ' O ' ' HB ' ' A' ' 21' ' ' THR . . . -58.57 -46.35 87.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.022 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.548 ' O ' HG22 ' A' ' 21' ' ' THR . . . -57.84 -19.86 31.92 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.246 179.68 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.44 ' CG ' ' HA ' ' A' ' 2' ' ' VAL . 7.1 t60 -88.0 -66.76 0.88 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.83 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.427 HD12 ' O ' ' A' ' 23' ' ' CYS . 9.4 tp -58.37 -23.3 21.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.881 -179.584 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.548 HG22 ' O ' ' A' ' 18' ' ' ALA . 7.3 t -47.61 -47.46 28.85 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.675 0.274 . . . . 0.0 111.328 -179.701 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.424 ' N ' HG23 ' A' ' 21' ' ' THR . 20.2 p-80 -110.12 -29.76 8.06 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.997 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.641 ' SG ' HD11 ' A' ' 7' ' ' LEU . 30.2 m -78.29 137.72 38.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.923 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.91 -179.943 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 . . . . . 0 N--CA 1.487 1.391 0 CA-C-O 120.837 0.351 . . . . 0.0 111.2 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.864 HG22 ' HB2' ' A' ' 11' ' ' ALA . 10.7 p -59.47 -30.54 44.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.09 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -69.23 -28.37 66.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.004 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.522 ' O ' HG22 ' A' ' 4' ' ' THR . 19.2 m -110.66 25.6 11.6 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.185 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 53.6 t -65.07 156.31 31.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.813 0.339 . . . . 0.0 110.745 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . 0.423 ' CE2' HD23 ' A' ' 7' ' ' LEU . 20.0 p90 -107.48 -48.43 3.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.035 -179.795 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.672 HD21 ' SG ' ' A' ' 23' ' ' CYS . 4.7 pp -79.15 148.69 71.77 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.056 -179.793 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.539 ' O ' HD12 ' A' ' 7' ' ' LEU . 60.8 Cg_endo -72.62 -167.85 0.36 Allowed 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.56 2.173 . . . . 0.0 112.325 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.2 mptt 58.9 30.87 20.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.871 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -129.49 161.5 30.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.797 -179.906 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.864 ' HB2' HG22 ' A' ' 2' ' ' VAL . . . 61.25 38.94 16.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.068 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -61.26 -30.99 70.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.055 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -138.72 30.87 2.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.169 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 59.45 30.9 20.63 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.097 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 11.1 t30 -97.36 120.1 37.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.842 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.435 HG13 ' N ' ' A' ' 17' ' ' ALA . 11.3 p -66.56 -42.17 89.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.072 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.435 ' N ' HG13 ' A' ' 16' ' ' VAL . . . -58.59 -46.02 87.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.996 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.653 ' O ' HG22 ' A' ' 21' ' ' THR . . . -58.45 -20.17 42.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.207 179.73 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.442 ' CD2' ' N ' ' A' ' 2' ' ' VAL . 6.0 t60 -86.42 -65.66 0.99 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.802 -179.874 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 5.7 tt -57.83 -20.52 14.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.834 -179.641 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.653 HG22 ' O ' ' A' ' 18' ' ' ALA . 13.3 t -55.21 -35.16 64.59 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.731 0.301 . . . . 0.0 111.378 -179.653 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 32.1 p-80 -130.96 13.42 5.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.599 -179.706 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.672 ' SG ' HD21 ' A' ' 7' ' ' LEU . 9.9 m -123.02 88.28 2.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.865 0.364 . . . . 0.0 110.987 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 85.9 m-85 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.874 -179.951 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 1' ' ' PHE . . . . . 0.43 ' HA ' HG23 ' A' ' 16' ' ' VAL . 41.5 m-85 . . . . . 0 N--CA 1.486 1.374 0 CA-C-O 120.838 0.351 . . . . 0.0 111.175 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.508 HG22 ' HB2' ' A' ' 11' ' ' ALA . 11.5 p -58.99 -31.23 45.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.097 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.0 m -63.97 -30.18 71.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.967 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.3 p -108.38 25.92 11.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.089 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 52.3 t -65.08 156.28 32.05 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.783 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . 0.712 ' CE2' HD23 ' A' ' 7' ' ' LEU . 34.3 p90 -99.5 -47.12 5.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.008 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.712 HD23 ' CE2' ' A' ' 6' ' ' TYR . 4.2 pp -82.69 141.18 44.45 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.853 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -75.51 173.38 14.59 Favored 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 122.517 2.144 . . . . 0.0 112.416 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 6.9 tttp 61.63 44.71 8.71 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.917 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.2 t -120.6 -45.16 2.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.912 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.508 ' HB2' HG22 ' A' ' 2' ' ' VAL . . . -81.81 108.19 15.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.083 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -109.65 -31.12 7.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.163 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -153.04 34.63 0.47 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.065 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 60.24 30.99 20.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.146 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -90.57 117.25 29.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.817 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.43 HG23 ' HA ' ' A' ' 1' ' ' PHE . 11.3 p -70.29 -41.05 78.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.116 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.42 ' N ' HG13 ' A' ' 16' ' ' VAL . . . -58.93 -48.93 79.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.008 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.651 ' O ' HG22 ' A' ' 21' ' ' THR . . . -57.79 -20.68 37.15 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.253 179.891 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.421 ' CG ' ' HA ' ' A' ' 2' ' ' VAL . 4.8 t60 -86.35 -64.65 1.12 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.795 -179.909 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 8.1 tt -58.92 -19.85 16.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.837 -179.617 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.651 HG22 ' O ' ' A' ' 18' ' ' ALA . 13.7 t -56.15 -32.1 63.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.706 0.289 . . . . 0.0 111.365 -179.617 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 30.3 p-80 -134.21 15.1 3.83 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.633 -179.715 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.658 ' SG ' HD21 ' A' ' 7' ' ' LEU . 7.9 m -124.33 116.7 23.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.793 0.33 . . . . 0.0 110.966 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 87.2 m-85 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.904 -179.975 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 91.1 m-85 . . . . . 0 N--CA 1.486 1.375 0 CA-C-O 120.847 0.356 . . . . 0.0 111.187 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.431 ' HA ' ' CG ' ' A' ' 19' ' ' HIS . 11.3 p -59.86 -30.7 45.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.022 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.7 m -67.99 -30.48 69.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.97 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 2.6 m -107.16 24.78 12.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.127 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 53.6 t -64.97 135.4 55.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.86 179.829 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . 0.857 ' CE2' HD23 ' A' ' 7' ' ' LEU . 47.1 p90 -59.54 -38.99 82.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.948 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.857 HD23 ' CE2' ' A' ' 6' ' ' TYR . 4.4 pp -104.74 148.58 36.3 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.876 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 67.8 Cg_endo -74.29 -30.96 7.93 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.615 2.21 . . . . 0.0 112.465 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 5.3 tttt -68.22 72.69 0.2 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.98 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -159.31 -63.24 0.07 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.841 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -59.65 96.59 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.112 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -110.7 -31.1 7.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.112 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -148.86 31.11 0.79 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.132 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 59.85 31.09 20.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.087 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -95.66 117.63 30.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.938 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.427 HG13 ' N ' ' A' ' 17' ' ' ALA . 11.2 p -71.77 -41.59 70.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.083 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.427 ' N ' HG13 ' A' ' 16' ' ' VAL . . . -58.78 -45.94 88.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.996 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.657 ' O ' HG22 ' A' ' 21' ' ' THR . . . -58.82 -20.07 47.03 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.165 179.847 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.431 ' CG ' ' HA ' ' A' ' 2' ' ' VAL . 4.1 t60 -85.84 -65.54 1.0 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.825 -179.886 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 2.7 tt -57.82 -20.73 15.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.791 -179.631 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.657 HG22 ' O ' ' A' ' 18' ' ' ALA . 15.4 t -55.78 -33.8 64.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.66 0.266 . . . . 0.0 111.3 -179.619 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 28.6 p-80 -132.44 17.34 4.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.568 -0.287 . . . . 0.0 111.573 -179.749 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 6.1 m -126.28 111.02 14.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.83 0.348 . . . . 0.0 110.905 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.859 179.977 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 . . . . . 0 N--CA 1.486 1.34 0 CA-C-O 120.791 0.329 . . . . 0.0 111.231 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.621 HG22 ' HB2' ' A' ' 11' ' ' ALA . 11.3 p -59.02 -30.98 44.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.105 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 66.7 m -66.49 -30.53 70.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.902 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 43.7 p -109.65 27.59 9.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.021 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 50.4 t -65.07 156.3 31.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.779 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.772 ' CE2' HD23 ' A' ' 7' ' ' LEU . 52.6 p90 -91.94 -45.92 8.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.079 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.772 HD23 ' CE2' ' A' ' 6' ' ' TYR . 4.7 pp -91.44 145.63 31.74 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.923 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -75.86 -179.16 4.91 Favored 'Trans proline' 0 C--N 1.343 0.273 0 C-N-CA 122.619 2.213 . . . . 0.0 112.36 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 7.9 mmtt 59.92 37.68 21.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.01 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -119.13 -41.26 2.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.887 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.621 ' HB2' HG22 ' A' ' 2' ' ' VAL . . . -88.4 101.09 13.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.089 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -110.52 -31.18 7.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.048 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -148.17 30.9 0.85 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.112 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 59.6 30.75 20.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.071 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -88.76 117.24 27.6 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.875 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.446 HG13 ' N ' ' A' ' 17' ' ' ALA . 11.2 p -70.2 -42.8 79.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.12 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.446 ' N ' HG13 ' A' ' 16' ' ' VAL . . . -58.43 -48.21 81.45 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.986 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.559 ' O ' HG22 ' A' ' 21' ' ' THR . . . -57.99 -20.01 35.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.221 179.713 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 5.7 t60 -88.2 -65.16 1.05 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.847 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 12.8 tt -60.92 -20.4 21.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.901 -179.585 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.559 HG22 ' O ' ' A' ' 18' ' ' ALA . 6.4 t -49.01 -47.63 44.31 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.85 0.357 . . . . 0.0 111.123 -179.786 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.423 ' N ' HG23 ' A' ' 21' ' ' THR . 21.7 p-80 -109.44 -29.0 8.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.915 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 54.3 m -79.53 123.69 27.8 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.954 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 20.3 m-85 -138.11 -178.31 5.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.961 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.8 ptpp? . . . . . 0 C--O 1.249 1.073 0 CA-C-O 118.269 -0.872 . . . . 1.0 110.945 179.98 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 11.2 m-85 . . . . . 0 N--CA 1.487 1.376 0 CA-C-O 120.84 0.352 . . . . 0.0 111.17 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.861 ' CG2' ' HB2' ' A' ' 11' ' ' ALA . 11.3 p -58.02 -40.55 77.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.121 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.405 ' N ' HG13 ' A' ' 2' ' ' VAL . 6.0 m -60.35 -29.82 69.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.848 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.3 p -108.95 26.48 10.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.095 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 54.0 t -65.07 152.87 42.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.73 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.57 ' CE2' HD23 ' A' ' 7' ' ' LEU . 40.2 p90 -101.62 -49.34 4.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.127 -179.794 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.673 HD21 ' SG ' ' A' ' 23' ' ' CYS . 4.6 pp -80.46 146.71 62.07 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.007 -179.86 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.487 ' O ' HD12 ' A' ' 7' ' ' LEU . 60.7 Cg_endo -72.93 -168.19 0.4 Allowed 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.553 2.168 . . . . 0.0 112.298 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 14.5 mtpp 59.62 31.36 20.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.877 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -126.5 160.67 29.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.82 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.861 ' HB2' ' CG2' ' A' ' 2' ' ' VAL . . . 61.34 90.5 0.07 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.057 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -108.98 -31.13 7.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.098 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -140.7 30.75 1.87 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.114 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 59.34 77.86 0.29 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.189 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 37.1 t30 -147.57 125.41 11.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.827 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.418 HG13 ' N ' ' A' ' 17' ' ' ALA . 12.3 p -69.66 -41.29 80.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.138 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.418 ' N ' HG13 ' A' ' 16' ' ' VAL . . . -58.52 -47.23 84.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.044 179.868 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.543 ' O ' HG22 ' A' ' 21' ' ' THR . . . -57.91 -20.03 34.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.211 179.742 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.416 ' CG ' ' HA ' ' A' ' 2' ' ' VAL . 6.2 t60 -87.78 -65.87 0.97 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.879 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 3.4 tt -60.33 -21.49 22.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.906 -179.521 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.543 HG22 ' O ' ' A' ' 18' ' ' ALA . 6.9 t -48.4 -47.88 37.32 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.794 0.33 . . . . 0.0 111.147 -179.853 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.432 ' N ' HG23 ' A' ' 21' ' ' THR . 34.1 p-80 -109.03 -28.45 9.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.913 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.673 ' SG ' HD21 ' A' ' 7' ' ' LEU . 56.7 m -80.73 137.16 36.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.935 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -147.15 -53.64 0.22 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.928 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 6.7 ptpt . . . . . 0 C--O 1.249 1.045 0 CA-C-O 118.214 -0.898 . . . . 1.0 110.902 179.95 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 55.4 m-85 . . . . . 0 N--CA 1.486 1.357 0 CA-C-O 120.895 0.378 . . . . 0.0 111.172 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.793 ' CG2' ' HB2' ' A' ' 11' ' ' ALA . 11.4 p -58.54 -36.39 59.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.078 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.5 m -60.43 -29.56 69.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.89 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.3 m -108.06 24.73 12.53 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.144 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 51.8 t -65.12 156.19 32.43 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.717 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.518 ' CZ ' HD23 ' A' ' 7' ' ' LEU . 53.8 p90 -108.07 -47.75 3.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.108 -179.804 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.658 HD21 ' SG ' ' A' ' 23' ' ' CYS . 4.7 pp -81.34 147.25 59.8 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.028 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.569 ' O ' HD12 ' A' ' 7' ' ' LEU . 59.0 Cg_endo -71.89 -168.06 0.34 Allowed 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 122.563 2.175 . . . . 0.0 112.371 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 59.54 31.26 20.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.863 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -127.97 166.23 18.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.847 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.793 ' HB2' ' CG2' ' A' ' 2' ' ' VAL . . . 61.11 89.95 0.07 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.084 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -110.35 -31.0 7.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.102 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -145.63 35.06 1.04 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.071 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 59.7 31.1 20.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.053 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -97.03 109.98 22.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.891 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 10.9 p -60.72 -39.26 81.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.073 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.405 ' O ' ' HB ' ' A' ' 21' ' ' THR . . . -58.83 -45.47 89.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.006 179.877 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.553 ' O ' HG22 ' A' ' 21' ' ' THR . . . -58.16 -19.59 34.13 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.307 179.672 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.427 ' CG ' ' HA ' ' A' ' 2' ' ' VAL . 6.7 t60 -87.59 -66.59 0.9 Allowed 'General case' 0 CA--C 1.53 0.194 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.856 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 6.6 tt -59.49 -21.49 20.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.929 -179.526 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.553 HG22 ' O ' ' A' ' 18' ' ' ALA . 7.9 t -49.05 -47.25 44.97 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-O 120.755 0.312 . . . . 0.0 111.117 -179.777 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.424 ' N ' HG23 ' A' ' 21' ' ' THR . 36.5 p-80 -109.78 -29.0 8.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.852 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.658 ' SG ' HD21 ' A' ' 7' ' ' LEU . 47.7 m -79.78 136.48 36.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.871 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 4.4 m-85 -160.74 -47.45 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.916 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.304 -0.855 . . . . 1.0 110.917 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 77.3 m-85 . . . . . 0 N--CA 1.487 1.388 0 CA-C-O 120.814 0.34 . . . . 0.0 111.163 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.696 HG22 ' HB2' ' A' ' 11' ' ' ALA . 11.2 p -59.71 -42.14 87.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.058 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.438 ' N ' HG13 ' A' ' 2' ' ' VAL . 0.3 OUTLIER -59.88 -31.51 69.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.879 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 26.8 m -73.47 -22.23 60.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.084 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 7.2 t -57.99 128.92 39.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.98 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.408 ' CD1' ' N ' ' A' ' 7' ' ' LEU . 28.0 p90 -88.91 -44.65 10.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.925 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.609 HD12 ' O ' ' A' ' 8' ' ' PRO . 4.3 pp -75.73 143.62 75.35 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.916 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.609 ' O ' HD12 ' A' ' 7' ' ' LEU . 73.0 Cg_endo -74.93 -168.29 0.5 Allowed 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.568 2.179 . . . . 0.0 112.366 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 6.4 mtpp 60.14 38.32 20.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.944 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -137.38 -48.43 0.59 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.917 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.696 ' HB2' HG22 ' A' ' 2' ' ' VAL . . . -90.61 94.58 9.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.037 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -107.41 -31.97 7.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.119 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -142.02 29.72 1.66 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.189 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 58.41 30.58 19.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.194 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.7 t30 -89.67 110.32 21.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.864 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.401 HG13 ' N ' ' A' ' 17' ' ' ALA . 10.9 p -63.68 -40.02 87.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.118 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.401 ' N ' HG13 ' A' ' 16' ' ' VAL . . . -59.0 -50.45 74.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.055 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.601 ' O ' HG22 ' A' ' 21' ' ' THR . . . -57.75 -20.27 33.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.252 179.774 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 5.1 t60 -88.36 -64.2 1.18 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.765 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.754 HD12 ' O ' ' A' ' 23' ' ' CYS . 8.9 tp -60.24 -19.0 17.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.892 -179.659 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.601 HG22 ' O ' ' A' ' 18' ' ' ALA . 8.9 t -48.7 -47.01 41.34 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.801 0.334 . . . . 0.0 111.203 -179.824 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.438 ' N ' HG23 ' A' ' 21' ' ' THR . 23.8 p-80 -112.45 -29.84 7.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.993 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.754 ' O ' HD12 ' A' ' 20' ' ' ILE . 22.4 m -75.92 128.07 34.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.984 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 6.9 m-85 -143.11 172.82 12.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.859 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.283 -0.865 . . . . 1.0 110.845 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 . . . . . 0 N--CA 1.486 1.355 0 CA-C-O 120.846 0.355 . . . . 0.0 111.242 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.845 HG22 ' HB2' ' A' ' 11' ' ' ALA . 11.4 p -58.48 -30.98 42.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.165 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.6 t -65.59 -30.44 71.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.931 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 2.9 m -109.33 27.18 9.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.101 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 49.1 t -65.06 156.29 31.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.859 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.524 ' CE1' HD23 ' A' ' 7' ' ' LEU . 51.5 p90 -97.08 -46.87 6.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.008 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.524 HD23 ' CE1' ' A' ' 6' ' ' TYR . 4.2 pp -85.44 144.12 39.93 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.896 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.478 ' O ' HD12 ' A' ' 7' ' ' LEU . 73.2 Cg_endo -76.09 176.89 9.46 Favored 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 122.509 2.139 . . . . 0.0 112.321 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 6.2 mmtp 60.26 44.95 11.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.918 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -122.77 -43.44 2.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.831 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.845 ' HB2' HG22 ' A' ' 2' ' ' VAL . . . -97.11 103.98 15.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.128 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -110.77 -31.83 7.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.192 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -142.95 29.98 1.47 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.155 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 58.79 77.29 0.31 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.15 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 5.0 t30 -137.91 119.65 15.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.803 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.441 HG13 ' N ' ' A' ' 17' ' ' ALA . 11.9 p -73.14 -42.5 58.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.114 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.441 ' N ' HG13 ' A' ' 16' ' ' VAL . . . -58.59 -51.0 71.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.026 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.574 ' O ' HG22 ' A' ' 21' ' ' THR . . . -57.5 -20.19 29.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.198 179.764 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.405 ' CG ' ' HA ' ' A' ' 2' ' ' VAL . 5.2 t60 -87.65 -64.84 1.09 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.813 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.439 HD12 ' O ' ' A' ' 23' ' ' CYS . 9.2 tp -60.24 -23.21 26.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.773 -179.599 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.574 HG22 ' O ' ' A' ' 18' ' ' ALA . 8.8 t -47.36 -45.27 24.69 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.757 0.313 . . . . 0.0 111.336 -179.718 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 20.6 p-80 -111.93 -31.79 6.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.973 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.496 ' SG ' HD21 ' A' ' 7' ' ' LEU . 26.2 m -75.54 133.9 40.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.859 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 9.6 m-85 -143.89 -47.64 0.28 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.948 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.076 0 CA-C-O 118.18 -0.914 . . . . 1.0 110.9 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 35.5 m-85 . . . . . 0 N--CA 1.485 1.318 0 CA-C-O 120.843 0.354 . . . . 0.0 111.178 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.803 HG22 ' HB2' ' A' ' 11' ' ' ALA . 11.6 p -58.97 -42.01 84.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.097 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.431 ' N ' HG13 ' A' ' 2' ' ' VAL . 1.8 m -60.71 -29.12 69.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.954 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 2.7 m -107.91 24.2 13.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.118 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 51.2 t -65.07 156.17 32.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.73 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.466 ' CZ ' HD23 ' A' ' 7' ' ' LEU . 46.4 p90 -105.76 -48.29 3.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.073 -179.76 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.687 HD21 ' SG ' ' A' ' 23' ' ' CYS . 4.6 pp -79.81 148.93 69.89 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.118 -179.883 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.592 ' O ' HD12 ' A' ' 7' ' ' LEU . 57.6 Cg_endo -71.33 -167.84 0.31 Allowed 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.584 2.189 . . . . 0.0 112.322 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 59.41 31.32 20.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.878 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -132.58 164.1 27.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.815 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.803 ' HB2' HG22 ' A' ' 2' ' ' VAL . . . 61.05 82.33 0.17 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.108 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -110.83 -31.02 7.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.125 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -141.53 32.93 1.65 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.064 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 59.43 30.96 20.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.107 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 6.5 m120 -96.32 119.94 35.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.874 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 10.9 p -71.36 -40.08 72.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.084 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.41 ' O ' ' HB ' ' A' ' 21' ' ' THR . . . -58.63 -46.5 86.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.936 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.548 ' O ' HG22 ' A' ' 21' ' ' THR . . . -57.54 -20.14 29.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.321 179.73 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.432 ' CG ' ' HA ' ' A' ' 2' ' ' VAL . 6.5 t60 -87.28 -66.4 0.91 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.86 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 3.7 tt -60.01 -22.09 23.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.909 -179.474 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.548 HG22 ' O ' ' A' ' 18' ' ' ALA . 7.8 t -48.28 -47.49 36.3 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.854 0.359 . . . . 0.0 111.186 -179.823 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.427 ' N ' HG23 ' A' ' 21' ' ' THR . 36.6 p-80 -109.22 -28.24 9.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.86 179.883 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.687 ' SG ' HD21 ' A' ' 7' ' ' LEU . 56.5 m -81.44 138.16 35.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.894 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -146.69 -57.79 0.28 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.911 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.258 -0.877 . . . . 1.0 110.95 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 . . . . . 0 N--CA 1.486 1.356 0 CA-C-O 120.843 0.354 . . . . 0.0 111.26 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.681 HG22 ' HB2' ' A' ' 11' ' ' ALA . 12.2 p -58.85 -42.84 86.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.11 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.451 ' N ' HG13 ' A' ' 2' ' ' VAL . 1.4 t -59.49 -28.82 67.37 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.995 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.449 ' O ' HG22 ' A' ' 4' ' ' THR . 7.7 m -110.12 26.22 10.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.152 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 53.3 t -64.99 156.15 32.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.704 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.517 ' CE2' HD23 ' A' ' 7' ' ' LEU . 39.4 p90 -103.96 -47.8 4.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.118 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.687 HD21 ' SG ' ' A' ' 23' ' ' CYS . 4.6 pp -81.56 149.14 63.98 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.949 -179.841 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.597 ' O ' HD12 ' A' ' 7' ' ' LEU . 58.2 Cg_endo -71.37 -167.89 0.31 Allowed 'Trans proline' 0 C--N 1.345 0.342 0 C-N-CA 122.647 2.231 . . . . 0.0 112.38 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 59.48 30.72 20.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.835 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -131.59 171.26 13.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.878 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.681 ' HB2' HG22 ' A' ' 2' ' ' VAL . . . 60.34 41.23 16.59 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.135 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -65.58 -30.89 71.68 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.095 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -146.8 30.95 0.96 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.156 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 59.26 31.23 21.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.074 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -94.32 120.81 35.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.923 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.48 HG13 ' N ' ' A' ' 17' ' ' ALA . 11.2 p -67.11 -45.07 87.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.057 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.48 ' N ' HG13 ' A' ' 16' ' ' VAL . . . -58.33 -47.64 83.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.906 179.807 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.551 ' O ' HG22 ' A' ' 21' ' ' THR . . . -58.34 -20.01 39.86 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.213 179.705 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.425 ' CG ' ' HA ' ' A' ' 2' ' ' VAL . 5.2 t60 -87.56 -65.29 1.03 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.895 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 2.8 tt -60.68 -22.07 25.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.959 -179.58 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.551 HG22 ' O ' ' A' ' 18' ' ' ALA . 7.4 t -48.4 -47.31 37.76 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-O 120.769 0.319 . . . . 0.0 111.091 -179.759 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.428 ' N ' HG23 ' A' ' 21' ' ' THR . 39.0 p-80 -108.82 -28.21 9.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.854 179.873 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.687 ' SG ' HD21 ' A' ' 7' ' ' LEU . 59.7 m -81.86 134.61 35.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.918 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 10.2 m-85 -140.84 -54.55 0.49 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.905 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.25 1.099 0 CA-C-O 118.262 -0.875 . . . . 1.0 110.9 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 25.4 m-85 . . . . . 0 N--CA 1.485 1.325 0 CA-C-O 120.74 0.305 . . . . 0.0 111.247 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.559 HG22 ' HB2' ' A' ' 11' ' ' ALA . 12.4 p -58.54 -32.58 46.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.027 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.6 m -64.53 -29.66 70.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.989 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 3.0 m -107.49 24.0 13.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.162 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 51.9 t -65.04 156.5 31.23 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.704 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.774 ' CZ ' HD23 ' A' ' 7' ' ' LEU . 52.6 p90 -96.35 -37.92 10.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.055 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.774 HD23 ' CZ ' ' A' ' 6' ' ' TYR . 2.1 pp -97.1 143.13 25.6 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.921 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.685 ' O ' HD12 ' A' ' 7' ' ' LEU . 68.5 Cg_endo -74.28 -176.26 2.61 Favored 'Trans proline' 0 C--N 1.346 0.407 0 C-N-CA 122.598 2.198 . . . . 0.0 112.345 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 21.4 mttt 59.36 31.08 20.84 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.982 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -115.1 -38.25 3.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.938 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.559 ' HB2' HG22 ' A' ' 2' ' ' VAL . . . -93.75 99.0 11.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.088 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -110.42 -31.25 7.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.063 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -146.95 31.0 0.95 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.143 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 59.43 30.86 20.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.157 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 37.5 m-20 -87.94 115.42 25.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.844 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.453 HG13 ' N ' ' A' ' 17' ' ' ALA . 11.2 p -69.91 -43.29 79.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.079 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.453 ' N ' HG13 ' A' ' 16' ' ' VAL . . . -58.31 -47.16 84.59 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.957 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.556 ' O ' HG22 ' A' ' 21' ' ' THR . . . -58.33 -19.72 37.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.281 179.62 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.423 ' CG ' ' HA ' ' A' ' 2' ' ' VAL . 6.3 t60 -88.34 -65.71 0.99 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.785 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 3.7 tt -60.21 -20.36 20.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.949 -179.528 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.556 HG22 ' O ' ' A' ' 18' ' ' ALA . 6.5 t -49.26 -47.71 46.39 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-O 120.821 0.343 . . . . 0.0 111.12 -179.839 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.424 ' N ' HG23 ' A' ' 21' ' ' THR . 20.9 p-80 -109.57 -29.38 8.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.874 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.507 ' SG ' HD21 ' A' ' 7' ' ' LEU . 46.4 m -78.81 107.7 11.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.855 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 -84.67 -67.86 0.76 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.919 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.03 0 CA-C-O 118.276 -0.869 . . . . 1.0 110.958 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.487 1.401 0 CA-C-O 120.753 0.311 . . . . 0.0 111.215 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.754 HG22 ' HB2' ' A' ' 11' ' ' ALA . 11.4 p -58.44 -31.18 42.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.099 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 37.7 m -72.79 -29.39 63.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.905 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.5 m -108.57 24.64 12.76 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.113 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 53.1 t -65.04 145.32 56.48 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.746 179.838 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.658 ' CE2' HD23 ' A' ' 7' ' ' LEU . 47.3 p90 -93.94 -48.91 6.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.198 -179.881 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.722 HD21 ' SG ' ' A' ' 23' ' ' CYS . 4.1 pp -78.14 145.74 69.73 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.939 -179.874 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.446 ' O ' HD12 ' A' ' 7' ' ' LEU . 63.3 Cg_endo -73.41 -168.07 0.41 Allowed 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 122.634 2.223 . . . . 0.0 112.321 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 59.61 32.27 21.44 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.81 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -129.03 171.57 12.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.858 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.754 ' HB2' HG22 ' A' ' 2' ' ' VAL . . . 60.98 43.95 10.95 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.098 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.62 -31.02 69.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.08 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -144.22 30.35 1.27 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.187 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 59.03 30.92 20.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.168 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -97.63 127.44 43.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.848 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.47 HG13 ' N ' ' A' ' 17' ' ' ALA . 12.4 p -66.63 -44.32 89.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.13 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.47 ' N ' HG13 ' A' ' 16' ' ' VAL . . . -58.03 -46.6 85.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.003 179.884 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.543 ' O ' HG22 ' A' ' 21' ' ' THR . . . -58.55 -19.64 39.62 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.304 179.636 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.403 ' CG ' ' HA ' ' A' ' 2' ' ' VAL . 6.1 t60 -88.06 -65.71 0.99 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.798 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 7.8 tt -60.25 -21.34 22.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.891 -179.539 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.543 HG22 ' O ' ' A' ' 18' ' ' ALA . 6.6 t -48.49 -47.9 38.32 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-O 120.871 0.367 . . . . 0.0 111.218 -179.814 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.429 ' N ' HG23 ' A' ' 21' ' ' THR . 26.9 p-80 -109.07 -28.83 8.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.83 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.722 ' SG ' HD21 ' A' ' 7' ' ' LEU . 55.8 m -80.15 118.6 21.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.968 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -130.19 -176.74 4.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.865 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.6 ptpp? . . . . . 0 C--O 1.248 0.993 0 CA-C-O 118.205 -0.902 . . . . 1.0 110.893 -179.979 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 6.8 m-85 . . . . . 0 N--CA 1.487 1.397 0 CA-C-O 120.79 0.329 . . . . 0.0 111.209 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 11.6 p -59.71 -31.1 46.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.053 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.3 m -65.18 -30.96 71.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.94 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -108.35 26.96 9.83 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.03 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 50.0 t -65.03 156.33 31.77 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.875 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.493 ' CZ ' HD23 ' A' ' 7' ' ' LEU . 50.8 p90 -97.05 -46.15 6.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.028 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.584 HD21 ' SG ' ' A' ' 23' ' ' CYS . 4.2 pp -86.57 145.28 39.09 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.007 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.556 ' O ' HD12 ' A' ' 7' ' ' LEU . 72.8 Cg_endo -76.17 -176.46 3.07 Favored 'Trans proline' 0 C--N 1.344 0.3 0 C-N-CA 122.586 2.19 . . . . 0.0 112.375 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 32.9 mttt 59.09 30.6 20.44 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.017 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -115.23 -35.71 4.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.991 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -84.16 57.37 4.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.146 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -111.91 -32.69 6.52 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.141 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.404 ' O ' ' HB3' ' A' ' 14' ' ' ALA . . . -93.91 -20.37 20.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.274 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.404 ' HB3' ' O ' ' A' ' 13' ' ' ALA . . . 66.84 31.24 7.42 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.82 0.343 . . . . 0.0 111.038 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -127.44 133.86 49.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.8 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.408 HG13 ' N ' ' A' ' 17' ' ' ALA . 11.1 p -59.24 -41.1 82.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.137 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.408 ' N ' HG13 ' A' ' 16' ' ' VAL . . . -59.31 -47.66 84.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.947 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.551 ' O ' HG22 ' A' ' 21' ' ' THR . . . -58.35 -19.68 37.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.269 179.761 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 5.3 t60 -87.96 -65.06 1.06 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.837 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.417 ' CG1' ' CE1' ' A' ' 24' ' ' TYR . 6.0 tt -61.39 -20.57 23.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.866 -179.47 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.551 HG22 ' O ' ' A' ' 18' ' ' ALA . 6.5 t -48.52 -47.95 38.69 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.809 0.337 . . . . 0.0 111.188 -179.815 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.431 ' N ' HG23 ' A' ' 21' ' ' THR . 23.8 p-80 -108.87 -28.59 9.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.806 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.584 ' SG ' HD21 ' A' ' 7' ' ' LEU . 58.3 m -80.25 105.79 11.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.958 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.417 ' CE1' ' CG1' ' A' ' 20' ' ' ILE . 5.1 m-85 -140.68 -176.89 4.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.898 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 7.7 ptpp? . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.242 -0.885 . . . . 1.0 110.939 -179.995 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 1.6 t80 . . . . . 0 N--CA 1.486 1.352 0 CA-C-O 120.871 0.367 . . . . 0.0 111.148 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.611 HG22 ' HB2' ' A' ' 11' ' ' ALA . 11.4 p -58.95 -30.24 42.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.121 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.99 -29.06 60.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.017 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.5 m -103.15 16.82 25.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.312 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 47.2 t -65.2 130.13 42.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.88 0.371 . . . . 0.0 110.766 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 52.1 p90 -86.88 -42.58 13.11 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.133 -179.852 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.769 HD21 ' SG ' ' A' ' 23' ' ' CYS . 0.7 OUTLIER -76.34 145.48 76.22 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.941 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 62.6 Cg_endo -73.24 -168.28 0.42 Allowed 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 122.555 2.17 . . . . 0.0 112.396 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.2 tttp 59.52 38.05 22.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.913 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -139.97 166.5 24.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.91 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.611 ' HB2' HG22 ' A' ' 2' ' ' VAL . . . 60.5 84.36 0.13 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.069 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -110.19 -31.15 7.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.129 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -138.13 30.49 2.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.127 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 59.19 30.89 20.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.124 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -98.78 129.52 45.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.853 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 11.1 p -75.35 -39.4 41.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.088 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.86 -45.15 90.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.993 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.543 ' O ' HG22 ' A' ' 21' ' ' THR . . . -58.36 -19.55 36.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.264 179.7 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.421 ' CG ' ' HA ' ' A' ' 2' ' ' VAL . 6.8 t60 -87.77 -66.41 0.92 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.868 -179.888 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 2.8 tt -59.79 -21.59 21.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.951 -179.545 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.543 HG22 ' O ' ' A' ' 18' ' ' ALA . 7.0 t -48.29 -47.89 36.12 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.828 0.347 . . . . 0.0 111.195 -179.851 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.429 ' N ' HG23 ' A' ' 21' ' ' THR . 25.6 p-80 -109.15 -29.04 8.72 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.891 179.844 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.769 ' SG ' HD21 ' A' ' 7' ' ' LEU . 56.1 m -80.17 120.78 24.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.925 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -133.74 147.84 51.36 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.887 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 28.5 mmtt . . . . . 0 C--O 1.249 1.033 0 CA-C-O 118.137 -0.935 . . . . 1.0 110.933 179.918 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 94.1 m-85 . . . . . 0 N--CA 1.487 1.378 0 CA-C-O 120.802 0.334 . . . . 0.0 111.153 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.635 HG22 ' HB2' ' A' ' 11' ' ' ALA . 11.3 p -71.66 -40.79 71.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.025 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.406 ' N ' HG13 ' A' ' 2' ' ' VAL . 39.4 m -59.53 -32.05 69.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.78 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -75.37 -19.53 59.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.191 179.837 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 11.7 t -54.46 159.42 2.07 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.872 0.368 . . . . 0.0 111.048 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 8.4 p90 -126.05 -40.69 1.99 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.249 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.49 HD23 ' H ' ' A' ' 7' ' ' LEU . 0.7 OUTLIER -74.94 145.66 81.51 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.981 -179.734 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 45.3 Cg_exo -56.2 -165.3 0.02 OUTLIER 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 122.598 2.199 . . . . 0.0 112.272 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 57.16 30.88 19.06 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.949 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.3 m -151.52 158.61 43.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.899 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.635 ' HB2' HG22 ' A' ' 2' ' ' VAL . . . 61.85 72.26 0.51 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.122 -179.901 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -110.67 -31.04 7.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.083 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -149.85 31.03 0.71 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.122 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 60.18 78.97 0.25 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.09 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -145.76 120.05 9.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.883 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.42 HG13 ' N ' ' A' ' 17' ' ' ALA . 12.0 p -72.52 -41.05 63.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.064 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.42 ' N ' HG13 ' A' ' 16' ' ' VAL . . . -59.12 -50.04 75.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.042 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.585 ' O ' HG22 ' A' ' 21' ' ' THR . . . -58.46 -19.72 39.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.269 179.82 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 4.2 t60 -88.34 -63.79 1.24 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.817 0.341 . . . . 0.0 110.831 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 14.8 tt -61.81 -17.9 18.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.834 -179.582 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.585 HG22 ' O ' ' A' ' 18' ' ' ALA . 9.7 t -49.96 -47.32 52.67 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.829 0.347 . . . . 0.0 111.118 -179.858 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.443 ' N ' HG23 ' A' ' 21' ' ' THR . 18.6 p-80 -110.26 -30.31 7.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.806 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.48 ' SG ' HD21 ' A' ' 7' ' ' LEU . 47.4 m -76.91 124.72 28.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.873 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 7.3 m-85 -149.9 -176.46 5.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.915 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.248 1.023 0 CA-C-O 118.26 -0.876 . . . . 1.0 110.896 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 36.2 m-85 . . . . . 0 N--CA 1.487 1.388 0 CA-C-O 120.751 0.31 . . . . 0.0 111.192 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.482 HG23 ' HB2' ' A' ' 19' ' ' HIS . 11.1 p -70.67 -43.41 77.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.049 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.464 ' N ' HG13 ' A' ' 2' ' ' VAL . 69.5 m -59.37 -43.04 92.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.893 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 44.4 p -63.01 -19.89 64.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.147 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 18.1 t -55.37 152.17 8.95 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.103 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.422 ' CD1' ' N ' ' A' ' 7' ' ' LEU . 8.4 p90 -119.6 -36.67 3.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.109 -179.793 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.719 HD12 ' O ' ' A' ' 8' ' ' PRO . 4.6 pp -74.83 142.79 77.18 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.036 -179.823 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.719 ' O ' HD12 ' A' ' 7' ' ' LEU . 46.5 Cg_exo -56.0 -166.41 0.02 OUTLIER 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 122.529 2.152 . . . . 0.0 112.27 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 9.7 mptt 57.06 31.24 19.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.944 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.4 m -150.75 164.77 35.38 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.91 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . 60.91 38.85 17.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.042 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -78.39 -31.0 48.12 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.07 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -146.92 30.73 0.96 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.107 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 59.41 30.97 20.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.124 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 28.4 t-20 -93.64 118.16 31.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.853 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.46 HG13 ' N ' ' A' ' 17' ' ' ALA . 12.4 p -70.52 -43.61 77.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.079 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.46 ' N ' HG13 ' A' ' 16' ' ' VAL . . . -58.73 -47.0 86.12 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.94 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.615 ' O ' HG22 ' A' ' 21' ' ' THR . . . -59.9 -18.8 47.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.266 179.828 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.482 ' HB2' HG23 ' A' ' 2' ' ' VAL . 4.0 t60 -86.92 -64.08 1.21 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.858 0.361 . . . . 0.0 110.872 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 2.6 tt -62.39 -17.08 17.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.843 -179.503 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.615 HG22 ' O ' ' A' ' 18' ' ' ALA . 9.0 t -51.71 -43.9 63.0 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.816 0.341 . . . . 0.0 111.14 -179.853 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 13.9 p-80 -112.95 -32.46 6.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.954 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.444 ' SG ' HD21 ' A' ' 7' ' ' LEU . 27.6 m -73.75 133.46 43.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.975 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -159.92 -175.51 5.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.807 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 8.0 ptpp? . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.25 -0.881 . . . . 1.0 110.88 -179.99 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 16.0 m-85 . . . . . 0 N--CA 1.487 1.414 0 CA-C-O 120.854 0.359 . . . . 0.0 111.202 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.49 HG13 ' N ' ' A' ' 3' ' ' SER . 11.2 p -59.42 -44.77 93.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.06 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.49 ' N ' HG13 ' A' ' 2' ' ' VAL . 8.9 t -62.37 -30.0 70.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.925 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.437 ' O ' HG22 ' A' ' 4' ' ' THR . 7.9 m -112.02 29.93 7.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.01 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 50.5 t -65.06 149.7 49.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.784 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.763 ' CE1' HD23 ' A' ' 7' ' ' LEU . 51.8 p90 -78.33 -48.35 15.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.2 -179.723 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.763 HD23 ' CE1' ' A' ' 6' ' ' TYR . 4.6 pp -87.95 148.09 42.47 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.976 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.53 ' O ' HD12 ' A' ' 7' ' ' LEU . 63.9 Cg_endo -73.54 -175.09 1.88 Allowed 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 122.603 2.202 . . . . 0.0 112.387 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 28.7 mttp 57.72 33.86 23.75 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.89 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -131.57 64.4 1.59 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.88 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -176.71 93.97 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.095 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -110.16 -31.21 7.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.132 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -156.21 30.57 0.34 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.155 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 59.29 32.83 22.23 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.136 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 7.2 m120 -84.94 119.63 25.59 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.909 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.49 HG13 ' N ' ' A' ' 17' ' ' ALA . 12.1 p -72.4 -44.92 61.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.038 -179.905 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.49 ' N ' HG13 ' A' ' 16' ' ' VAL . . . -58.13 -47.55 82.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.979 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.556 ' O ' HG22 ' A' ' 21' ' ' THR . . . -59.3 -19.18 44.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.247 179.732 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 3.7 t60 -87.56 -64.41 1.15 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.932 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 11.7 tt -61.54 -22.46 28.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.822 -179.453 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.556 HG22 ' O ' ' A' ' 18' ' ' ALA . 8.2 t -48.19 -47.4 35.35 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.922 0.392 . . . . 0.0 111.173 -179.841 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.436 ' N ' HG23 ' A' ' 21' ' ' THR . 31.1 p-80 -107.8 -28.42 9.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.847 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 67.0 m -81.81 109.06 15.85 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.938 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 8.8 m-85 -138.02 128.91 27.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.841 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.03 0 CA-C-O 118.247 -0.882 . . . . 1.0 110.894 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 . . . . . 0 N--CA 1.487 1.377 0 CA-C-O 120.862 0.363 . . . . 0.0 111.196 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.747 HG22 ' HB2' ' A' ' 11' ' ' ALA . 11.2 p -59.88 -30.83 46.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.126 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.6 t -61.83 -29.02 69.89 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.109 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -100.21 11.93 38.23 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.425 -179.897 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 43.6 t -65.15 153.7 40.14 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.817 0.341 . . . . 0.0 110.729 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.665 ' CE1' HD23 ' A' ' 7' ' ' LEU . 18.1 p90 -114.74 -44.56 3.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.024 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.665 HD23 ' CE1' ' A' ' 6' ' ' TYR . 1.8 pp -74.89 147.38 83.89 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.933 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.408 ' O ' HD12 ' A' ' 7' ' ' LEU . 56.3 Cg_endo -70.38 -168.11 0.28 Allowed 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.582 2.188 . . . . 0.0 112.406 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 59.52 31.46 21.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.851 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -135.24 162.32 32.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.878 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.747 ' HB2' HG22 ' A' ' 2' ' ' VAL . . . 61.0 80.54 0.21 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.121 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -109.76 -31.29 7.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.069 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -139.35 31.15 2.13 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.111 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 59.58 30.81 20.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.143 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 6.1 t30 -97.35 121.99 39.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.904 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 11.2 p -71.2 -40.01 73.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.062 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.4 ' O ' ' HB ' ' A' ' 21' ' ' THR . . . -58.41 -45.37 88.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.94 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.549 ' O ' HG22 ' A' ' 21' ' ' THR . . . -58.67 -19.19 37.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.234 179.795 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.428 ' CG ' ' HA ' ' A' ' 2' ' ' VAL . 6.9 t60 -88.3 -66.5 0.91 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.818 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 3.2 tt -59.51 -20.69 19.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.869 -179.47 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.549 HG22 ' O ' ' A' ' 18' ' ' ALA . 6.6 t -49.31 -47.87 46.69 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.835 0.35 . . . . 0.0 111.192 -179.81 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.424 ' N ' HG23 ' A' ' 21' ' ' THR . 20.8 p-80 -109.3 -29.84 8.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.895 179.882 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.593 ' SG ' HD21 ' A' ' 7' ' ' LEU . 41.4 m -78.52 134.62 37.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.908 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -147.64 -62.86 0.27 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.9 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 11.1 pttm . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.251 -0.881 . . . . 1.0 110.932 179.995 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 45.7 m-85 . . . . . 0 N--CA 1.487 1.375 0 CA-C-O 120.837 0.351 . . . . 0.0 111.211 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.806 ' CG2' ' HB2' ' A' ' 11' ' ' ALA . 11.7 p -58.17 -34.48 49.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.126 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -64.61 -29.6 70.61 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.936 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 3.6 m -107.04 23.62 14.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.118 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 49.8 t -65.04 156.39 31.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.825 0.345 . . . . 0.0 110.706 179.833 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.727 ' CE2' HD23 ' A' ' 7' ' ' LEU . 18.3 p90 -110.48 -48.97 3.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.098 -179.869 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.727 HD23 ' CE2' ' A' ' 6' ' ' TYR . 3.4 pp -78.41 125.77 84.18 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.921 -179.861 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 48.3 Cg_exo -55.75 -166.81 0.02 OUTLIER 'Trans proline' 0 C--N 1.346 0.446 0 C-N-CA 122.441 2.094 . . . . 0.0 112.29 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 58.68 31.36 21.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.929 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -126.97 168.17 14.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.88 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.806 ' HB2' ' CG2' ' A' ' 2' ' ' VAL . . . 60.88 92.43 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.091 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -110.19 -31.21 7.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.092 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -139.13 30.74 2.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.12 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 59.58 30.96 20.62 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.155 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -99.65 126.85 45.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.852 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 12.2 p -69.49 -39.32 78.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.02 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.68 -45.39 89.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.991 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.543 ' O ' HG22 ' A' ' 21' ' ' THR . . . -58.26 -19.57 35.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.306 179.706 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.416 ' CG ' ' HA ' ' A' ' 2' ' ' VAL . 6.7 t60 -87.79 -66.44 0.91 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.852 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 6.5 tt -59.75 -21.51 21.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.918 -179.533 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.543 HG22 ' O ' ' A' ' 18' ' ' ALA . 7.1 t -48.39 -47.97 37.22 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.892 0.377 . . . . 0.0 111.146 -179.826 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.432 ' N ' HG23 ' A' ' 21' ' ' THR . 25.3 p-80 -109.02 -28.94 8.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.903 179.867 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.677 ' SG ' HD21 ' A' ' 7' ' ' LEU . 55.9 m -80.21 136.78 36.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.9 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 10.2 m-85 -154.9 -50.9 0.09 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.883 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.265 -0.874 . . . . 1.0 110.927 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . 0.654 ' HA ' HG23 ' A' ' 16' ' ' VAL . 39.8 m-85 . . . . . 0 N--CA 1.486 1.344 0 CA-C-O 120.812 0.339 . . . . 0.0 111.193 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.579 HG22 ' HB2' ' A' ' 11' ' ' ALA . 11.1 p -58.99 -30.72 44.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.067 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.5 m -60.43 -29.02 68.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.972 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.401 HG22 ' O ' ' A' ' 4' ' ' THR . 6.1 m -98.94 11.7 38.13 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.381 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 33.0 t -65.07 143.37 57.96 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.753 0.311 . . . . 0.0 110.735 179.841 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 43.9 p90 -120.03 28.76 7.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.249 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.641 HD11 ' SG ' ' A' ' 23' ' ' CYS . 0.7 OUTLIER -151.32 154.92 34.28 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.901 179.929 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -69.98 -173.1 0.68 Allowed 'Trans proline' 0 C--N 1.343 0.28 0 C-N-CA 122.553 2.169 . . . . 0.0 112.281 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 60.84 36.86 18.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.898 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -147.82 165.23 31.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.836 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.579 ' HB2' HG22 ' A' ' 2' ' ' VAL . . . 60.95 75.19 0.42 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.157 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -110.73 -31.11 7.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.09 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -145.1 31.2 1.13 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.108 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 59.73 30.98 20.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.146 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 6.3 t-20 -96.51 112.89 24.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.915 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.654 HG23 ' HA ' ' A' ' 1' ' ' PHE . 11.3 p -64.89 -39.95 87.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.075 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.405 ' O ' ' HB ' ' A' ' 21' ' ' THR . . . -58.57 -46.35 87.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.022 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.548 ' O ' HG22 ' A' ' 21' ' ' THR . . . -57.84 -19.86 31.92 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.246 179.68 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.44 ' CG ' ' HA ' ' A' ' 2' ' ' VAL . 7.1 t60 -88.0 -66.76 0.88 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.83 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.427 HD12 ' O ' ' A' ' 23' ' ' CYS . 9.4 tp -58.37 -23.3 21.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.881 -179.584 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.548 HG22 ' O ' ' A' ' 18' ' ' ALA . 7.3 t -47.61 -47.46 28.85 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.675 0.274 . . . . 0.0 111.328 -179.701 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.424 ' N ' HG23 ' A' ' 21' ' ' THR . 20.2 p-80 -110.12 -29.76 8.06 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.997 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.641 ' SG ' HD11 ' A' ' 7' ' ' LEU . 30.2 m -78.29 137.72 38.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.923 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -146.62 -66.67 0.28 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.91 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 2.9 pttt . . . . . 0 C--O 1.25 1.115 0 CA-C-O 118.187 -0.911 . . . . 1.0 110.843 -179.941 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 . . . . . 0 N--CA 1.487 1.391 0 CA-C-O 120.837 0.351 . . . . 0.0 111.2 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.864 HG22 ' HB2' ' A' ' 11' ' ' ALA . 10.7 p -59.47 -30.54 44.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.09 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -69.23 -28.37 66.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.004 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.522 ' O ' HG22 ' A' ' 4' ' ' THR . 19.2 m -110.66 25.6 11.6 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.185 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 53.6 t -65.07 156.31 31.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.813 0.339 . . . . 0.0 110.745 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.423 ' CE2' HD23 ' A' ' 7' ' ' LEU . 20.0 p90 -107.48 -48.43 3.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.035 -179.795 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.672 HD21 ' SG ' ' A' ' 23' ' ' CYS . 4.7 pp -79.15 148.69 71.77 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.056 -179.793 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.539 ' O ' HD12 ' A' ' 7' ' ' LEU . 60.8 Cg_endo -72.62 -167.85 0.36 Allowed 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.56 2.173 . . . . 0.0 112.325 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.2 mptt 58.9 30.87 20.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.871 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -129.49 161.5 30.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.797 -179.906 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.864 ' HB2' HG22 ' A' ' 2' ' ' VAL . . . 61.25 38.94 16.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.068 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -61.26 -30.99 70.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.055 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -138.72 30.87 2.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.169 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 59.45 30.9 20.63 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.097 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 11.1 t30 -97.36 120.1 37.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.842 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.435 HG13 ' N ' ' A' ' 17' ' ' ALA . 11.3 p -66.56 -42.17 89.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.072 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.435 ' N ' HG13 ' A' ' 16' ' ' VAL . . . -58.59 -46.02 87.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.996 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.653 ' O ' HG22 ' A' ' 21' ' ' THR . . . -58.45 -20.17 42.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.207 179.73 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.442 ' CD2' ' N ' ' A' ' 2' ' ' VAL . 6.0 t60 -86.42 -65.66 0.99 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.802 -179.874 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 5.7 tt -57.83 -20.52 14.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.834 -179.641 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.653 HG22 ' O ' ' A' ' 18' ' ' ALA . 13.3 t -55.21 -35.16 64.59 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.731 0.301 . . . . 0.0 111.378 -179.653 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 32.1 p-80 -130.96 13.42 5.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.599 -179.706 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.672 ' SG ' HD21 ' A' ' 7' ' ' LEU . 9.9 m -123.02 88.28 2.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.865 0.364 . . . . 0.0 110.987 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 85.9 m-85 -107.51 -68.15 0.91 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.874 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 3.6 ptpp? . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.246 -0.883 . . . . 1.0 110.933 -179.982 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . 0.43 ' HA ' HG23 ' A' ' 16' ' ' VAL . 41.5 m-85 . . . . . 0 N--CA 1.486 1.374 0 CA-C-O 120.838 0.351 . . . . 0.0 111.175 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.508 HG22 ' HB2' ' A' ' 11' ' ' ALA . 11.5 p -58.99 -31.23 45.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.097 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.0 m -63.97 -30.18 71.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.967 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.3 p -108.38 25.92 11.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.089 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 52.3 t -65.08 156.28 32.05 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.783 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.712 ' CE2' HD23 ' A' ' 7' ' ' LEU . 34.3 p90 -99.5 -47.12 5.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.008 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.712 HD23 ' CE2' ' A' ' 6' ' ' TYR . 4.2 pp -82.69 141.18 44.45 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.853 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -75.51 173.38 14.59 Favored 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 122.517 2.144 . . . . 0.0 112.416 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 6.9 tttp 61.63 44.71 8.71 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.917 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.2 t -120.6 -45.16 2.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.912 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.508 ' HB2' HG22 ' A' ' 2' ' ' VAL . . . -81.81 108.19 15.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.083 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -109.65 -31.12 7.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.163 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -153.04 34.63 0.47 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.065 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 60.24 30.99 20.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.146 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -90.57 117.25 29.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.817 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.43 HG23 ' HA ' ' A' ' 1' ' ' PHE . 11.3 p -70.29 -41.05 78.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.116 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.42 ' N ' HG13 ' A' ' 16' ' ' VAL . . . -58.93 -48.93 79.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.008 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.651 ' O ' HG22 ' A' ' 21' ' ' THR . . . -57.79 -20.68 37.15 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.253 179.891 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.421 ' CG ' ' HA ' ' A' ' 2' ' ' VAL . 4.8 t60 -86.35 -64.65 1.12 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.795 -179.909 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 8.1 tt -58.92 -19.85 16.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.837 -179.617 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.651 HG22 ' O ' ' A' ' 18' ' ' ALA . 13.7 t -56.15 -32.1 63.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.706 0.289 . . . . 0.0 111.365 -179.617 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 30.3 p-80 -134.21 15.1 3.83 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.633 -179.715 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.658 ' SG ' HD21 ' A' ' 7' ' ' LEU . 7.9 m -124.33 116.7 23.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.793 0.33 . . . . 0.0 110.966 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 87.2 m-85 -136.36 -48.8 0.65 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.904 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.254 -0.879 . . . . 1.0 110.923 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 91.1 m-85 . . . . . 0 N--CA 1.486 1.375 0 CA-C-O 120.847 0.356 . . . . 0.0 111.187 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.431 ' HA ' ' CG ' ' A' ' 19' ' ' HIS . 11.3 p -59.86 -30.7 45.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.022 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.7 m -67.99 -30.48 69.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.97 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 2.6 m -107.16 24.78 12.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.127 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 53.6 t -64.97 135.4 55.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.86 179.829 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.857 ' CE2' HD23 ' A' ' 7' ' ' LEU . 47.1 p90 -59.54 -38.99 82.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.948 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.857 HD23 ' CE2' ' A' ' 6' ' ' TYR . 4.4 pp -104.74 148.58 36.3 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.876 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 67.8 Cg_endo -74.29 -30.96 7.93 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.615 2.21 . . . . 0.0 112.465 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 5.3 tttt -68.22 72.69 0.2 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.98 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -159.31 -63.24 0.07 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.841 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -59.65 96.59 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.112 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -110.7 -31.1 7.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.112 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -148.86 31.11 0.79 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.132 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 59.85 31.09 20.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.087 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -95.66 117.63 30.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.938 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.427 HG13 ' N ' ' A' ' 17' ' ' ALA . 11.2 p -71.77 -41.59 70.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.083 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.427 ' N ' HG13 ' A' ' 16' ' ' VAL . . . -58.78 -45.94 88.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.996 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.657 ' O ' HG22 ' A' ' 21' ' ' THR . . . -58.82 -20.07 47.03 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.165 179.847 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.431 ' CG ' ' HA ' ' A' ' 2' ' ' VAL . 4.1 t60 -85.84 -65.54 1.0 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.825 -179.886 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 2.7 tt -57.82 -20.73 15.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.791 -179.631 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.657 HG22 ' O ' ' A' ' 18' ' ' ALA . 15.4 t -55.78 -33.8 64.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.66 0.266 . . . . 0.0 111.3 -179.619 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 28.6 p-80 -132.44 17.34 4.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.568 -0.287 . . . . 0.0 111.573 -179.749 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 6.1 m -126.28 111.02 14.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.83 0.348 . . . . 0.0 110.905 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 -144.09 -48.09 0.27 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.859 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.5 mmpt? . . . . . 0 C--O 1.248 0.998 0 CA-C-O 118.228 -0.892 . . . . 1.0 110.862 179.995 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_